2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline

C9H9ClF3N — CID 143122342

IUPAC2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline
SMILESCN(C)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N/c1-14(2)8-6(9(11,12)13)4-3-5-7(8)10/h3-5H,1-2H3
InChIKeyPJANQAVLPJMMTG-UHFFFAOYSA-N
MW223.63 g/mol
LogP3.42
Rot. Bonds1

About 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline

2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline (PubChem CID 143122342) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline
PubChem CID143122342
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline
SMILESCN(C)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N/c1-14(2)8-6(9(11,12)13)4-3-5-7(8)10/h3-5H,1-2H3
InChIKeyPJANQAVLPJMMTG-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline 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-6-methylphenylformamide
CID 244436
2-Chloro-6-(trifluoromethyl)aniline
CID 2756384
2-Chloro-N,N,4-trimethylbenzenamine
CID 4099980
5-Chloro-N,N-dimethyl-O-toluidine
CID 3272869
2-Chloro-6-methylphenyl isocyanide
CID 16217466
2-chloro-N-methyl-6-(trifluoromethyl)aniline
CID 21161568
3-Chloro-2-(methylamino)benzonitrile
CID 117608360
N-(2-chloro-4-methylphenyl)-N,N-diethylamine
CID 291901
2-chloro-N-methyl-4-(trifluoromethyl)aniline hydrochloride
CID 91654461
2-chloro-N,4-dimethylaniline
CID 13803018
5-chloro-N,N-dimethyl-2-[(E)-3,3,3-trifluoroprop-1-enyl]aniline
CID 101912498
5-chloro-N,N-dimethyl-2-[(Z)-3,3,3-trifluoroprop-1-enyl]aniline
CID 101912509

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline (CID 143122342) is 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline is CN(C)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline?
The InChIKey is PJANQAVLPJMMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-14(2)8-6(9(11,12)13)4-3-5-7(8)10/h3-5H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline?
2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline has a molecular weight of 223.63 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline is sourced from PubChem (CID 143122342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).