2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid

C11H11F3O2 — CID 165489781

IUPAC2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc(C(F)F)c1F
InChIInChI=1S/C11H11F3O2/c1-11(2,10(15)16)7-5-3-4-6(8(7)12)9(13)14/h3-5,9H,1-2H3,(H,15,16)
InChIKeyFTLFIPWUEYLMDZ-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.13
Rot. Bonds3

About 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid

2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid (PubChem CID 165489781) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid
PubChem CID165489781
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc(C(F)F)c1F
InChIInChI=1S/C11H11F3O2/c1-11(2,10(15)16)7-5-3-4-6(8(7)12)9(13)14/h3-5,9H,1-2H3,(H,15,16)
InChIKeyFTLFIPWUEYLMDZ-UHFFFAOYSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[2-(1,2,2-trifluoroethyl)phenyl]propanoic acid
CID 84728614
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
CID 174776412
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
2-methyl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanoic acid
CID 84738339
2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid
CID 84729711
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228
1-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propan-1-one
CID 134617274
2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid
CID 175420502
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324
2,2-difluoro-2-[2-fluoro-3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]acetic acid
CID 174191659

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid (CID 165489781) is 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1cccc(C(F)F)c1F.
What is the InChIKey of 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid?
The InChIKey is FTLFIPWUEYLMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-11(2,10(15)16)7-5-3-4-6(8(7)12)9(13)14/h3-5,9H,1-2H3,(H,15,16).
What are the key properties of 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid?
2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid has a molecular weight of 232.20 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid is sourced from PubChem (CID 165489781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).