Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : B7F

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
2	InChIKey	InChI	1.03	WXJFKAZDSQLPBX-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	FC(F)(F)C(F)(F)C(F)(F)CO
4	SMILES	CACTVS	3.385	OCC(F)(F)C(F)(F)C(F)(F)F
5	SMILES	OpenEye OEToolkits	2.0.7	C(C(C(C(F)(F)F)(F)F)(F)F)O
6	Canonical SMILES	CACTVS	3.385	OCC(F)(F)C(F)(F)C(F)(F)F
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	C(C(C(C(F)(F)F)(F)F)(F)F)O