2-chloro-4-methyl-3-(trifluoromethyl)aniline

C8H7ClF3N — CID 119003965

IUPAC2-chloro-4-methyl-3-(trifluoromethyl)aniline
SMILESCc1ccc(N)c(Cl)c1C(F)(F)F
InChIInChI=1S/C8H7ClF3N/c1-4-2-3-5(13)7(9)6(4)8(10,11)12/h2-3H,13H2,1H3
InChIKeyCTSODOVPIUBZKT-UHFFFAOYSA-N
MW209.60 g/mol
LogP3.25
Rot. Bonds

About 2-chloro-4-methyl-3-(trifluoromethyl)aniline

2-chloro-4-methyl-3-(trifluoromethyl)aniline (PubChem CID 119003965) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 2-chloro-4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-methyl-3-(trifluoromethyl)aniline
PubChem CID119003965
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name2-chloro-4-methyl-3-(trifluoromethyl)aniline
SMILESCc1ccc(N)c(Cl)c1C(F)(F)F
InChIInChI=1S/C8H7ClF3N/c1-4-2-3-5(13)7(9)6(4)8(10,11)12/h2-3H,13H2,1H3
InChIKeyCTSODOVPIUBZKT-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-2-(trifluoromethyl)phenol
CID 119003890
2-chloro-4-(chloromethyl)-3-(trifluoromethyl)aniline
CID 130971493
2-chloro-3-methyl-4-(trifluoromethyl)aniline
CID 118991011
3-chloro-2,4-bis(trifluoromethyl)aniline
CID 118991382
1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene
CID 130776855
5-chloro-3-methyl-2-(trifluoromethyl)aniline
CID 130969006
3-chloro-2,4-dimethylaniline
CID 15278607
4-chloro-2-iodo-3-(trifluoromethyl)aniline
CID 118805865
6-amino-3-chloro-2-(trifluoromethyl)phenol
CID 68682278
2-chloro-4-fluoro-3-methylaniline
CID 13251510
methyl 4-amino-2-chloro-3-(trifluoromethyl)benzoate
CID 131512668
3-butan-2-yl-2-chloro-5-methyl-4-(trifluoromethyl)aniline
CID 170594256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-4-methyl-3-(trifluoromethyl)aniline (CID 119003965) is 2-chloro-4-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-4-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-4-methyl-3-(trifluoromethyl)aniline is Cc1ccc(N)c(Cl)c1C(F)(F)F.
What is the InChIKey of 2-chloro-4-methyl-3-(trifluoromethyl)aniline?
The InChIKey is CTSODOVPIUBZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c1-4-2-3-5(13)7(9)6(4)8(10,11)12/h2-3H,13H2,1H3.
What are the key properties of 2-chloro-4-methyl-3-(trifluoromethyl)aniline?
2-chloro-4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 209.60 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 119003965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).