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

C13H16F3NO3 — CID 103233518

IUPAC2-[2-(trifluoromethoxy)anilino]hexanoic acid
SMILESCCCCC(Nc1ccccc1OC(F)(F)F)C(=O)O
InChIInChI=1S/C13H16F3NO3/c1-2-3-6-10(12(18)19)17-9-7-4-5-8-11(9)20-13(14,15)16/h4-5,7-8,10,17H,2-3,6H2,1H3,(H,18,19)
InChIKeyNWNIFHBIQMLJJC-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.64
Rot. Bonds7

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

2-[2-(trifluoromethoxy)anilino]hexanoic acid (PubChem CID 103233518) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)anilino]hexanoic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)anilino]hexanoic acid
PubChem CID103233518
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-[2-(trifluoromethoxy)anilino]hexanoic acid
SMILESCCCCC(Nc1ccccc1OC(F)(F)F)C(=O)O
InChIInChI=1S/C13H16F3NO3/c1-2-3-6-10(12(18)19)17-9-7-4-5-8-11(9)20-13(14,15)16/h4-5,7-8,10,17H,2-3,6H2,1H3,(H,18,19)
InChIKeyNWNIFHBIQMLJJC-UHFFFAOYSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 120615374
2-(2-phenylanilino)decanoic acid
CID 172791149
2-(2-chloroanilino)nonanoic acid
CID 63524442
2-(2-propylsulfonylanilino)hexanoic acid
CID 43470254
2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470
(2S)-2-[[4-(trifluoromethoxy)benzoyl]amino]hexanoic acid
CID 120614931
2-(2-bromo-3-chloroanilino)hexanoic acid
CID 103480450
2-[hydroxy-[2-(trifluoromethoxy)phenyl]methyl]pentanoic acid
CID 83042460
(Z)-3-methyl-4-[2-(trifluoromethoxy)anilino]but-2-enoic acid
CID 103233513

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)anilino]hexanoic acid?
The IUPAC name of 2-[2-(trifluoromethoxy)anilino]hexanoic acid (CID 103233518) is 2-[2-(trifluoromethoxy)anilino]hexanoic acid.
What is the SMILES notation for 2-[2-(trifluoromethoxy)anilino]hexanoic acid?
The canonical SMILES for 2-[2-(trifluoromethoxy)anilino]hexanoic acid is CCCCC(Nc1ccccc1OC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[2-(trifluoromethoxy)anilino]hexanoic acid?
The InChIKey is NWNIFHBIQMLJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-2-3-6-10(12(18)19)17-9-7-4-5-8-11(9)20-13(14,15)16/h4-5,7-8,10,17H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 2-[2-(trifluoromethoxy)anilino]hexanoic acid?
2-[2-(trifluoromethoxy)anilino]hexanoic acid has a molecular weight of 291.27 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)anilino]hexanoic acid is sourced from PubChem (CID 103233518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).