2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid

C16H14F2O2 — CID 176514272

IUPAC2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc(-c2cc(F)ccc2F)c1
InChIInChI=1S/C16H14F2O2/c1-16(2,15(19)20)11-5-3-4-10(8-11)13-9-12(17)6-7-14(13)18/h3-9H,1-2H3,(H,19,20)
InChIKeyZHHSQVKNNJZEFA-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.99
Rot. Bonds3

About 2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid

2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid (PubChem CID 176514272) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid
PubChem CID176514272
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc(-c2cc(F)ccc2F)c1
InChIInChI=1S/C16H14F2O2/c1-16(2,15(19)20)11-5-3-4-10(8-11)13-9-12(17)6-7-14(13)18/h3-9H,1-2H3,(H,19,20)
InChIKeyZHHSQVKNNJZEFA-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid (CID 176514272) is 2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1cccc(-c2cc(F)ccc2F)c1.
What is the InChIKey of 2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid?
The InChIKey is ZHHSQVKNNJZEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-16(2,15(19)20)11-5-3-4-10(8-11)13-9-12(17)6-7-14(13)18/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid?
2-[3-(2,5-difluorophenyl)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-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 176514272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).