2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid

C22H18F2O2 — CID 130367899

IUPAC2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H18F2O2/c1-22(2,21(25)26)18-12-16(14-3-7-19(23)8-4-14)11-17(13-18)15-5-9-20(24)10-6-15/h3-13H,1-2H3,(H,25,26)
InChIKeyPEHVCMFNZICFQX-UHFFFAOYSA-N
MW352.38 g/mol
LogP5.66
Rot. Bonds4

About 2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid

2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid (PubChem CID 130367899) has the molecular formula C22H18F2O2 and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid
PubChem CID130367899
Molecular FormulaC22H18F2O2
Molecular Weight352.38 g/mol
Exact Mass352.13
IUPAC Name2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H18F2O2/c1-22(2,21(25)26)18-12-16(14-3-7-19(23)8-4-14)11-17(13-18)15-5-9-20(24)10-6-15/h3-13H,1-2H3,(H,25,26)
InChIKeyPEHVCMFNZICFQX-UHFFFAOYSA-N
XLogP5.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,5-bis(4-fluorophenyl)phenyl]-N-ethyl-2-methylpropanamide
CID 142510758
2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid
CID 176514272
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 39232920
2-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]propanoic acid
CID 176514258
2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropanoic acid
CID 167428087
2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 10236331
2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid
CID 101345988
2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
2-methyl-2-[4-(4-nitrophenyl)phenyl]propanoic acid
CID 82039226
2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid
CID 162534075

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid (CID 130367899) is 2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid?
The InChIKey is PEHVCMFNZICFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2O2/c1-22(2,21(25)26)18-12-16(14-3-7-19(23)8-4-14)11-17(13-18)15-5-9-20(24)10-6-15/h3-13H,1-2H3,(H,25,26).
What are the key properties of 2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid?
2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid has a molecular weight of 352.38 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 130367899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).