2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid

C16H14F2O2 — CID 101345988

IUPAC2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2cccc(F)c2)c(F)c1
InChIInChI=1S/C16H14F2O2/c1-16(2,15(19)20)11-6-7-13(14(18)9-11)10-4-3-5-12(17)8-10/h3-9H,1-2H3,(H,19,20)
InChIKeyWWZVWKRBUOTHEW-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.99
Rot. Bonds3

About 2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid

2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid (PubChem CID 101345988) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid
PubChem CID101345988
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2cccc(F)c2)c(F)c1
InChIInChI=1S/C16H14F2O2/c1-16(2,15(19)20)11-6-7-13(14(18)9-11)10-4-3-5-12(17)8-10/h3-9H,1-2H3,(H,19,20)
InChIKeyWWZVWKRBUOTHEW-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid
CID 176514272
4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene
CID 168798404
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
3-fluoro-4-(3-fluorophenyl)phenol
CID 46312656
3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid
CID 166242302
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
(E)-3-[2-(3-fluorophenyl)-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 46313346
2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514239
2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid
CID 167987075
4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid
CID 70500964
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid (CID 101345988) is 2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(-c2cccc(F)c2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid?
The InChIKey is WWZVWKRBUOTHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-16(2,15(19)20)11-6-7-13(14(18)9-11)10-4-3-5-12(17)8-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid?
2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid has a molecular weight of 276.28 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 101345988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).