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

C11H12F2O2 — CID 81009481

IUPAC4-(2,4-difluorophenyl)-2-methylbutanoic acid
SMILESCC(CCc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C11H12F2O2/c1-7(11(14)15)2-3-8-4-5-9(12)6-10(8)13/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyIJWRAWVZHVNWOP-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.62
Rot. Bonds4

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

4-(2,4-difluorophenyl)-2-methylbutanoic acid (PubChem CID 81009481) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-methylbutanoic acid
PubChem CID81009481
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name4-(2,4-difluorophenyl)-2-methylbutanoic acid
SMILESCC(CCc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C11H12F2O2/c1-7(11(14)15)2-3-8-4-5-9(12)6-10(8)13/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyIJWRAWVZHVNWOP-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[4-(2,4-difluorophenyl)butan-2-ylamino]hexanoic acid
CID 122044654
(2R)-3-[[2-(2,4-difluorophenyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 124517356
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
3-[cyclopropyl-[2-(2,4-difluorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 120535316
4-[4-(2,4-difluorophenyl)butan-2-ylamino]butanoic acid
CID 122035922
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740
5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one
CID 116594975
4-(2,4-difluorophenyl)butan-2-one
CID 62197971
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
CID 62197542
4-[[4-(2,4-difluorophenyl)butan-2-ylamino]methyl]benzoic acid
CID 122036055
1-(2,4-difluorophenyl)-8-phenylnonan-3-ol
CID 58861727

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-methylbutanoic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-2-methylbutanoic acid (CID 81009481) is 4-(2,4-difluorophenyl)-2-methylbutanoic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-methylbutanoic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-methylbutanoic acid is CC(CCc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-methylbutanoic acid?
The InChIKey is IJWRAWVZHVNWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(11(14)15)2-3-8-4-5-9(12)6-10(8)13/h4-7H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-(2,4-difluorophenyl)-2-methylbutanoic acid?
4-(2,4-difluorophenyl)-2-methylbutanoic acid has a molecular weight of 214.21 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-methylbutanoic acid is sourced from PubChem (CID 81009481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).