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B7F : Summary
Code ![](/pdbe/static/images/help.png)
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B7F
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2,2,3,3,4,4,4-heptafluorobutan-1-ol
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C4 H3 F7 O
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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200.055 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
FC(F)(F)C(F)(F)C(F)(F)CO |
SMILES
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CACTVS |
3.385 |
OCC(F)(F)C(F)(F)C(F)(F)F |
SMILES
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OpenEye OEToolkits |
2.0.7 |
C(C(C(C(F)(F)F)(F)F)(F)F)O |
Canonical SMILES
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CACTVS |
3.385 |
OCC(F)(F)C(F)(F)C(F)(F)F |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C(C(C(C(F)(F)F)(F)F)(F)F)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WXJFKAZDSQLPBX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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15 (12 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-07-20
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-31
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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