2,2-difluoro-2-(2-fluorophenyl)acetic acid

C8H5F3O2 — CID 62492425

IUPAC2,2-difluoro-2-(2-fluorophenyl)acetic acid
SMILESO=C(O)C(F)(F)c1ccccc1F
InChIInChI=1S/C8H5F3O2/c9-6-4-2-1-3-5(6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChIKeyMEUKKMRCOPFQAQ-UHFFFAOYSA-N
MW190.12 g/mol
LogP2.00
Rot. Bonds2

About 2,2-difluoro-2-(2-fluorophenyl)acetic acid

2,2-difluoro-2-(2-fluorophenyl)acetic acid (PubChem CID 62492425) has the molecular formula C8H5F3O2 and a molecular weight of 190.12 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(2-fluorophenyl)acetic acid
PubChem CID62492425
Molecular FormulaC8H5F3O2
Molecular Weight190.12 g/mol
Exact Mass190.02
IUPAC Name2,2-difluoro-2-(2-fluorophenyl)acetic acid
SMILESO=C(O)C(F)(F)c1ccccc1F
InChIInChI=1S/C8H5F3O2/c9-6-4-2-1-3-5(6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChIKeyMEUKKMRCOPFQAQ-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid
CID 58434081
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
CID 95298200
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
2-(3-chloro-2-methylsulfanylphenyl)-2,2-difluoroacetic acid
CID 166132543
pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid
CID 175181509
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
2-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-difluoroacetic acid
CID 171591321
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
CID 69226515
CID 69226515
2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid
CID 105478777
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
CID 18922154

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(2-fluorophenyl)acetic acid (CID 62492425) is 2,2-difluoro-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(2-fluorophenyl)acetic acid is O=C(O)C(F)(F)c1ccccc1F.
What is the InChIKey of 2,2-difluoro-2-(2-fluorophenyl)acetic acid?
The InChIKey is MEUKKMRCOPFQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2/c9-6-4-2-1-3-5(6)8(10,11)7(12)13/h1-4H,(H,12,13).
What are the key properties of 2,2-difluoro-2-(2-fluorophenyl)acetic acid?
2,2-difluoro-2-(2-fluorophenyl)acetic acid has a molecular weight of 190.12 g/mol, XLogP of 2.00, 2 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-fluorophenyl)acetic acid is sourced from PubChem (CID 62492425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).