2-[2-(trifluoromethoxy)anilino]butanoic acid

C11H12F3NO3 — CID 64668144

IUPAC2-[2-(trifluoromethoxy)anilino]butanoic acid
SMILESCCC(Nc1ccccc1OC(F)(F)F)C(=O)O
InChIInChI=1S/C11H12F3NO3/c1-2-7(10(16)17)15-8-5-3-4-6-9(8)18-11(12,13)14/h3-7,15H,2H2,1H3,(H,16,17)
InChIKeyDLIJGAVXJXYCBT-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.86
Rot. Bonds5

About 2-[2-(trifluoromethoxy)anilino]butanoic acid

2-[2-(trifluoromethoxy)anilino]butanoic acid (PubChem CID 64668144) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)anilino]butanoic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)anilino]butanoic acid
PubChem CID64668144
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2-[2-(trifluoromethoxy)anilino]butanoic acid
SMILESCCC(Nc1ccccc1OC(F)(F)F)C(=O)O
InChIInChI=1S/C11H12F3NO3/c1-2-7(10(16)17)15-8-5-3-4-6-9(8)18-11(12,13)14/h3-7,15H,2H2,1H3,(H,16,17)
InChIKeyDLIJGAVXJXYCBT-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(trifluoromethoxy)anilino]butanoic 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-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 103233518
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178
2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 42922033
1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 4598212
N-(1-cyclopropylpropyl)-2-(trifluoromethoxy)aniline
CID 64920294
N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline
CID 43105351
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
(Z)-3-methyl-4-[2-(trifluoromethoxy)anilino]but-2-enoic acid
CID 103233513
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide
CID 43089308

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)anilino]butanoic acid?
The IUPAC name of 2-[2-(trifluoromethoxy)anilino]butanoic acid (CID 64668144) is 2-[2-(trifluoromethoxy)anilino]butanoic acid.
What is the SMILES notation for 2-[2-(trifluoromethoxy)anilino]butanoic acid?
The canonical SMILES for 2-[2-(trifluoromethoxy)anilino]butanoic acid is CCC(Nc1ccccc1OC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[2-(trifluoromethoxy)anilino]butanoic acid?
The InChIKey is DLIJGAVXJXYCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-2-7(10(16)17)15-8-5-3-4-6-9(8)18-11(12,13)14/h3-7,15H,2H2,1H3,(H,16,17).
What are the key properties of 2-[2-(trifluoromethoxy)anilino]butanoic acid?
2-[2-(trifluoromethoxy)anilino]butanoic acid has a molecular weight of 263.21 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)anilino]butanoic acid is sourced from PubChem (CID 64668144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).