2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid

C11H11ClF3NO2 — CID 62946083

IUPAC2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
SMILESCCN(CC(F)(F)F)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C11H11ClF3NO2/c1-2-16(6-11(13,14)15)7-3-4-8(10(17)18)9(12)5-7/h3-5H,2,6H2,1H3,(H,17,18)
InChIKeyLCXAYLVUKGPLRC-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid

2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid (PubChem CID 62946083) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
PubChem CID62946083
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
SMILESCCN(CC(F)(F)F)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C11H11ClF3NO2/c1-2-16(6-11(13,14)15)7-3-4-8(10(17)18)9(12)5-7/h3-5H,2,6H2,1H3,(H,17,18)
InChIKeyLCXAYLVUKGPLRC-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic 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-chloro-4-(diethylamino)benzoic acid
CID 62945761
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
2-chloro-4-[ethyl(2-methylprop-2-enyl)amino]benzoic acid
CID 55153564
bis[2-chloro-4-(diethylamino)phenyl]methanone
CID 139673948
2-chloro-5-(diethylamino)benzoic acid
CID 79695041
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid
CID 107935629
4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55009203
2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid
CID 63514692
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 79387458
N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 10262797
4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
CID 62701815
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387648

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid (CID 62946083) is 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid is CCN(CC(F)(F)F)c1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid?
The InChIKey is LCXAYLVUKGPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-2-16(6-11(13,14)15)7-3-4-8(10(17)18)9(12)5-7/h3-5H,2,6H2,1H3,(H,17,18).
What are the key properties of 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid?
2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid has a molecular weight of 281.66 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid is sourced from PubChem (CID 62946083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).