1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine

C13H10ClF3N2 — CID 29067186

IUPAC1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)(F)F)ccc1Nc1cccc(Cl)c1
InChIInChI=1S/C13H10ClF3N2/c14-9-2-1-3-10(7-9)19-12-5-4-8(6-11(12)18)13(15,16)17/h1-7,19H,18H2
InChIKeyQMPPMRDFUDQNAM-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.68
Rot. Bonds2

About 1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine

1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 29067186) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID29067186
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)(F)F)ccc1Nc1cccc(Cl)c1
InChIInChI=1S/C13H10ClF3N2/c14-9-2-1-3-10(7-9)19-12-5-4-8(6-11(12)18)13(15,16)17/h1-7,19H,18H2
InChIKeyQMPPMRDFUDQNAM-UHFFFAOYSA-N
XLogP4.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloroanilino)-5-(trifluoromethyl)benzenecarbothioamide
CID 43331267
3-[2-amino-4-(trifluoromethyl)anilino]benzonitrile
CID 43148749
1-N-(4-bromo-3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107618576
1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067483
1-N-[(3-chlorophenyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 62537577
4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 63667774
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
4-chloro-1-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29067093
1-N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 65435093
1-N-(2-chloro-6-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 66253362
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115468541

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 29067186) is 1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine is Nc1cc(C(F)(F)F)ccc1Nc1cccc(Cl)c1.
What is the InChIKey of 1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is QMPPMRDFUDQNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c14-9-2-1-3-10(7-9)19-12-5-4-8(6-11(12)18)13(15,16)17/h1-7,19H,18H2.
What are the key properties of 1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 286.68 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 29067186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).