1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine

C8H9F3N2 — CID 715666

IUPAC1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCNc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3
InChIKeyKWYSQBACVABOFL-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.33
Rot. Bonds1

About 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine

1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 715666) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID715666
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCNc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3
InChIKeyKWYSQBACVABOFL-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine (CID 715666) is 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine is CNc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is KWYSQBACVABOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3.
What are the key properties of 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 190.17 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 715666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).