2-[2-(trifluoromethyl)anilino]acetic acid

C9H8F3NO2 — CID 21238931

IUPAC2-[2-(trifluoromethyl)anilino]acetic acid
SMILESO=C(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-2-4-7(6)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyJKMBAEJKBSMULR-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.20
Rot. Bonds3

About 2-[2-(trifluoromethyl)anilino]acetic acid

2-[2-(trifluoromethyl)anilino]acetic acid (PubChem CID 21238931) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)anilino]acetic acid
PubChem CID21238931
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name2-[2-(trifluoromethyl)anilino]acetic acid
SMILESO=C(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-2-4-7(6)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyJKMBAEJKBSMULR-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(trifluoromethyl)anilino]butanoic acid
CID 18071647
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
3-[[2-(trifluoromethyl)anilino]methyl]pentanoic acid
CID 81067136
N-[2-(2-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000338
3,3-dimethyl-5-oxo-5-[2-(trifluoromethyl)anilino]pentanoic acid
CID 60699495
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide
CID 109006214
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
1-(4-nitrophenyl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 110824973
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
N-[2-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000567
2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[2-(trifluoromethyl)anilino]acetic acid (CID 21238931) is 2-[2-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)anilino]acetic acid is O=C(O)CNc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)anilino]acetic acid?
The InChIKey is JKMBAEJKBSMULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-2-4-7(6)13-5-8(14)15/h1-4,13H,5H2,(H,14,15).
What are the key properties of 2-[2-(trifluoromethyl)anilino]acetic acid?
2-[2-(trifluoromethyl)anilino]acetic acid has a molecular weight of 219.16 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 21238931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).