3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid

C11H11F4NO2 — CID 107303273

IUPAC3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
SMILESCC(CNc1ccc(C(F)(F)F)cc1F)C(=O)O
InChIInChI=1S/C11H11F4NO2/c1-6(10(17)18)5-16-9-3-2-7(4-8(9)12)11(13,14)15/h2-4,6,16H,5H2,1H3,(H,17,18)
InChIKeyDPBWMJZVPANITL-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.98
Rot. Bonds4

About 3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid

3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid (PubChem CID 107303273) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is 3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
PubChem CID107303273
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Name3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
SMILESCC(CNc1ccc(C(F)(F)F)cc1F)C(=O)O
InChIInChI=1S/C11H11F4NO2/c1-6(10(17)18)5-16-9-3-2-7(4-8(9)12)11(13,14)15/h2-4,6,16H,5H2,1H3,(H,17,18)
InChIKeyDPBWMJZVPANITL-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235
1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol
CID 113236994
N-(2-chloropentyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107304160
2-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 122068118
methyl 2-[2-fluoro-4-(trifluoromethyl)anilino]-3-hydroxypropanoate
CID 107303971
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107303431
5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide
CID 106238921
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039
2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid
CID 62810259
2-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]butanoic acid
CID 80537740
3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid
CID 107528138
2-fluoro-N-(2-methylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 103850214

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid (CID 107303273) is 3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid is CC(CNc1ccc(C(F)(F)F)cc1F)C(=O)O.
What is the InChIKey of 3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid?
The InChIKey is DPBWMJZVPANITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-6(10(17)18)5-16-9-3-2-7(4-8(9)12)11(13,14)15/h2-4,6,16H,5H2,1H3,(H,17,18).
What are the key properties of 3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid?
3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid has a molecular weight of 265.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid is sourced from PubChem (CID 107303273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).