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

C13H9Cl2F3N2 — CID 29067483

IUPAC1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)(F)F)ccc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2F3N2/c14-8-2-1-3-11(12(8)15)20-10-5-4-7(6-9(10)19)13(16,17)18/h1-6,20H,19H2
InChIKeySQKUXOWWRPOZEY-UHFFFAOYSA-N
MW321.13 g/mol
LogP5.34
Rot. Bonds2

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

1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 29067483) has the molecular formula C13H9Cl2F3N2 and a molecular weight of 321.13 g/mol. Its IUPAC name is 1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID29067483
Molecular FormulaC13H9Cl2F3N2
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)(F)F)ccc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2F3N2/c14-8-2-1-3-11(12(8)15)20-10-5-4-7(6-9(10)19)13(16,17)18/h1-6,20H,19H2
InChIKeySQKUXOWWRPOZEY-UHFFFAOYSA-N
XLogP5.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.13
LogP ≤ 55.34
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-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 29067483) is 1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine is Nc1cc(C(F)(F)F)ccc1Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is SQKUXOWWRPOZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2/c14-8-2-1-3-11(12(8)15)20-10-5-4-7(6-9(10)19)13(16,17)18/h1-6,20H,19H2.
What are the key properties of 1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 321.13 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 29067483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).