N,2,3-trimethyl-4-(trifluoromethyl)aniline

C10H12F3N — CID 70839196

IUPACN,2,3-trimethyl-4-(trifluoromethyl)aniline
SMILESCNc1ccc(C(F)(F)F)c(C)c1C
InChIInChI=1S/C10H12F3N/c1-6-7(2)9(14-3)5-4-8(6)10(11,12)13/h4-5,14H,1-3H3
InChIKeyJCKPKLGGGUSEDT-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.36
Rot. Bonds1

About N,2,3-trimethyl-4-(trifluoromethyl)aniline

N,2,3-trimethyl-4-(trifluoromethyl)aniline (PubChem CID 70839196) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N,2,3-trimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,2,3-trimethyl-4-(trifluoromethyl)aniline
PubChem CID70839196
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN,2,3-trimethyl-4-(trifluoromethyl)aniline
SMILESCNc1ccc(C(F)(F)F)c(C)c1C
InChIInChI=1S/C10H12F3N/c1-6-7(2)9(14-3)5-4-8(6)10(11,12)13/h4-5,14H,1-3H3
InChIKeyJCKPKLGGGUSEDT-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,2,3-trimethyl-4-(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

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of N,2,3-trimethyl-4-(trifluoromethyl)aniline (CID 70839196) is N,2,3-trimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N,2,3-trimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N,2,3-trimethyl-4-(trifluoromethyl)aniline is CNc1ccc(C(F)(F)F)c(C)c1C.
What is the InChIKey of N,2,3-trimethyl-4-(trifluoromethyl)aniline?
The InChIKey is JCKPKLGGGUSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6-7(2)9(14-3)5-4-8(6)10(11,12)13/h4-5,14H,1-3H3.
What are the key properties of N,2,3-trimethyl-4-(trifluoromethyl)aniline?
N,2,3-trimethyl-4-(trifluoromethyl)aniline has a molecular weight of 203.21 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 70839196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).