3-(2,4-difluorophenyl)-2-methylbutanoic acid

C11H12F2O2 — CID 79729834

IUPAC3-(2,4-difluorophenyl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O2/c1-6(7(2)11(14)15)9-4-3-8(12)5-10(9)13/h3-7H,1-2H3,(H,14,15)
InChIKeyWRXOONAAHLFMGD-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.79
Rot. Bonds3

About 3-(2,4-difluorophenyl)-2-methylbutanoic acid

3-(2,4-difluorophenyl)-2-methylbutanoic acid (PubChem CID 79729834) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-methylbutanoic acid
PubChem CID79729834
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name3-(2,4-difluorophenyl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O2/c1-6(7(2)11(14)15)9-4-3-8(12)5-10(9)13/h3-7H,1-2H3,(H,14,15)
InChIKeyWRXOONAAHLFMGD-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid
CID 105396237
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610
(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
CID 171716727
2-amino-3-(2,4-difluorophenyl)butan-1-ol
CID 83908387
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
CID 89251980
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-methylbutanoic acid?
The IUPAC name of 3-(2,4-difluorophenyl)-2-methylbutanoic acid (CID 79729834) is 3-(2,4-difluorophenyl)-2-methylbutanoic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-methylbutanoic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-methylbutanoic acid is CC(C(=O)O)C(C)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-methylbutanoic acid?
The InChIKey is WRXOONAAHLFMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-6(7(2)11(14)15)9-4-3-8(12)5-10(9)13/h3-7H,1-2H3,(H,14,15).
What are the key properties of 3-(2,4-difluorophenyl)-2-methylbutanoic acid?
3-(2,4-difluorophenyl)-2-methylbutanoic acid has a molecular weight of 214.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-methylbutanoic acid is sourced from PubChem (CID 79729834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).