2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid

C12H14F3NO2 — CID 55136889

IUPAC2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
SMILESCCCN(CC(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-2-7-16(8-11(17)18)10-5-3-9(4-6-10)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,17,18)
InChIKeyGLUNGPTUEYZDNW-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.01
Rot. Bonds5

About 2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid

2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid (PubChem CID 55136889) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
PubChem CID55136889
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
SMILESCCCN(CC(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-2-7-16(8-11(17)18)10-5-3-9(4-6-10)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,17,18)
InChIKeyGLUNGPTUEYZDNW-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
2-methyl-3-[N-propyl-4-(trifluoromethyl)anilino]propanoic acid
CID 82317921
2-[2-cyano-N-propyl-4-(trifluoromethyl)anilino]acetic acid
CID 61007398
2-(3-chloro-4-methyl-N-propylanilino)acetic acid
CID 83561354
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
2-[4-methyl-N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566736
methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
CID 62956796
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid
CID 25220023
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl-propylamino]acetic acid
CID 122039932
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
2-[N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566938

Frequently Asked Questions

What is the IUPAC name of 2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid (CID 55136889) is 2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid is CCCN(CC(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid?
The InChIKey is GLUNGPTUEYZDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-2-7-16(8-11(17)18)10-5-3-9(4-6-10)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid?
2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid has a molecular weight of 261.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 55136889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).