2,2-bis(3,4-difluorophenyl)acetic acid

C14H8F4O2 — CID 20677452

IUPAC2,2-bis(3,4-difluorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F4O2/c15-9-3-1-7(5-11(9)17)13(14(19)20)8-2-4-10(16)12(18)6-8/h1-6,13H,(H,19,20)
InChIKeyGMAATIXFAPDFDU-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.46
Rot. Bonds3

About 2,2-bis(3,4-difluorophenyl)acetic acid

2,2-bis(3,4-difluorophenyl)acetic acid (PubChem CID 20677452) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 2,2-bis(3,4-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2,2-bis(3,4-difluorophenyl)acetic acid
PubChem CID20677452
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name2,2-bis(3,4-difluorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F4O2/c15-9-3-1-7(5-11(9)17)13(14(19)20)8-2-4-10(16)12(18)6-8/h1-6,13H,(H,19,20)
InChIKeyGMAATIXFAPDFDU-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-2-(3,4-difluorophenyl)acetic acid
CID 22626650
2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
CID 24730258
1-(3,4-difluorophenyl)-1-phenylbutan-2-one
CID 167542388
2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid
CID 84746691
2-(3,4-difluorophenyl)-2-fluoroacetyl chloride
CID 174899549
1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one
CID 69041331
2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone
CID 22004300
1,1-bis(3,4-difluorophenyl)pentan-3-one
CID 142067469
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
(2S)-2-azaniumyl-2-(3,4-difluorophenyl)acetate
CID 7019553
2-(3,4-difluorophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63702483

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3,4-difluorophenyl)acetic acid?
The IUPAC name of 2,2-bis(3,4-difluorophenyl)acetic acid (CID 20677452) is 2,2-bis(3,4-difluorophenyl)acetic acid.
What is the SMILES notation for 2,2-bis(3,4-difluorophenyl)acetic acid?
The canonical SMILES for 2,2-bis(3,4-difluorophenyl)acetic acid is O=C(O)C(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2,2-bis(3,4-difluorophenyl)acetic acid?
The InChIKey is GMAATIXFAPDFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c15-9-3-1-7(5-11(9)17)13(14(19)20)8-2-4-10(16)12(18)6-8/h1-6,13H,(H,19,20).
What are the key properties of 2,2-bis(3,4-difluorophenyl)acetic acid?
2,2-bis(3,4-difluorophenyl)acetic acid has a molecular weight of 284.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3,4-difluorophenyl)acetic acid is sourced from PubChem (CID 20677452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).