2',3'-Difluoro-4'-(5,5,6,6,7,7,8,8,8-nonafluoro-octyloxy)-biphenyl-4-carboxylic acid

HCID 22016254
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Basic information

Standard SMILES
O=C(O)c1ccc(-c2ccc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c2F)cc1
InChIKey
PHBNANSPPNULMU-UHFFFAOYSA-N
Molecular formula
C21H15F11O3
Average molar mass
524.3 g/mol

Names & identifiers

Preferred name
2',3'-Difluoro-4'-(5,5,6,6,7,7,8,8,8-nonafluoro-octyloxy)-biphenyl-4-carboxylic acid
IUPAC
4-[2,3-difluoro-4-(5,5,6,6,7,7,8,8,8-nonafluorooctoxy)phenyl]benzoic acid

Names & synonyms

2',3'-difluoro-4'-(5,5,6,6,7,7,8,8,8-nonafluoro-octyloxy)-biphenyl-4-carboxylic acidSCHEMBL6001958

Database identifiers

PubChem CID
22016254

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
14
Rotatable bonds
10
Heavy atoms
35

Related reactions

3 records
New reaction record

Linked notes

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