8PF

pentadecafluorooctanoic acid

Created:	2016-04-22
Last modified:	2016-10-05

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6 entries where 8PF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	0

2D diagram of 8PF

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Chemical Component Summary
Name	pentadecafluorooctanoic acid
Systematic Name (OpenEye OEToolkits)	2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)octanoic acid
Formula	C₈ H F₁₅ O₂
Molecular Weight	414.068
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(F)(C(F)(C(C(F)(F)F)(F)F)F)(C(F)(C(F)(F)C(F)(F)C(O)=O)F)F
SMILES	CACTVS	3.385	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.4	C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Canonical SMILES	CACTVS	3.385	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.4	C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI	InChI	1.03	InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
InChIKey	InChI	1.03	SNGREZUHAYWORS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9554
ChEMBL	CHEMBL172988
ChEBI	CHEBI:35549
CCDC/CSD	KEQREG
COD	1548057

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.