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

C8H7ClF3N — CID 130983523

IUPAC5-chloro-2-methyl-3-(trifluoromethyl)aniline
SMILESCc1c(N)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H7ClF3N/c1-4-6(8(10,11)12)2-5(9)3-7(4)13/h2-3H,13H2,1H3
InChIKeyCCEFZTPIRIVJSN-UHFFFAOYSA-N
MW209.60 g/mol
LogP3.25
Rot. Bonds

About 5-chloro-2-methyl-3-(trifluoromethyl)aniline

5-chloro-2-methyl-3-(trifluoromethyl)aniline (PubChem CID 130983523) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(trifluoromethyl)aniline
PubChem CID130983523
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name5-chloro-2-methyl-3-(trifluoromethyl)aniline
SMILESCc1c(N)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H7ClF3N/c1-4-6(8(10,11)12)2-5(9)3-7(4)13/h2-3H,13H2,1H3
InChIKeyCCEFZTPIRIVJSN-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

5-chloro-3-fluoro-2-methylaniline
CID 18727792
5-(3-chloro-4-methylphenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458315
5-chloro-3-methyl-2-(trifluoromethyl)aniline
CID 130969006
5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458251
2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 119010128
(E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol
CID 155467959
5-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458244
5-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458321
2-chloro-3-methyl-4-(trifluoromethyl)aniline
CID 118991011
4-chloro-2-methyl-6-(trifluoromethyl)benzamide
CID 171004117
4-chloro-2-(chloromethyl)-6-(trifluoromethyl)aniline
CID 119021391
2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline
CID 165451580

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of 5-chloro-2-methyl-3-(trifluoromethyl)aniline (CID 130983523) is 5-chloro-2-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 5-chloro-2-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 5-chloro-2-methyl-3-(trifluoromethyl)aniline is Cc1c(N)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-2-methyl-3-(trifluoromethyl)aniline?
The InChIKey is CCEFZTPIRIVJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c1-4-6(8(10,11)12)2-5(9)3-7(4)13/h2-3H,13H2,1H3.
What are the key properties of 5-chloro-2-methyl-3-(trifluoromethyl)aniline?
5-chloro-2-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 5-chloro-2-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 130983523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).