2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid

C14H9F3O2 — CID 58434081

IUPAC2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid
SMILESO=C(O)C(F)(F)c1ccccc1-c1ccccc1F
InChIInChI=1S/C14H9F3O2/c15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14(16,17)13(18)19/h1-8H,(H,18,19)
InChIKeyXBVYULBKQBWCRA-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.67
Rot. Bonds3

About 2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid

2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid (PubChem CID 58434081) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid
PubChem CID58434081
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid
SMILESO=C(O)C(F)(F)c1ccccc1-c1ccccc1F
InChIInChI=1S/C14H9F3O2/c15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14(16,17)13(18)19/h1-8H,(H,18,19)
InChIKeyXBVYULBKQBWCRA-UHFFFAOYSA-N
XLogP3.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride
CID 46313258
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
CID 95298200
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648591
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
3,5-difluoro-4-(2-fluorophenyl)benzoic acid
CID 170919050
2-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-difluoroacetic acid
CID 171591321
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
3-[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 75177372
2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid
CID 105478777

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid (CID 58434081) is 2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid is O=C(O)C(F)(F)c1ccccc1-c1ccccc1F.
What is the InChIKey of 2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid?
The InChIKey is XBVYULBKQBWCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14(16,17)13(18)19/h1-8H,(H,18,19).
What are the key properties of 2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid?
2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid has a molecular weight of 266.22 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid is sourced from PubChem (CID 58434081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).