4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine

C13H8Cl3F3N2 — CID 116698705

IUPAC4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1cc(Cl)c(Cl)cc1Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H8Cl3F3N2/c14-7-1-6(13(17,18)19)2-8(3-7)21-12-5-10(16)9(15)4-11(12)20/h1-5,21H,20H2
InChIKeySGHLECIDYQTBGF-UHFFFAOYSA-N
MW355.57 g/mol
LogP5.99
Rot. Bonds2

About 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine

4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine (PubChem CID 116698705) has the molecular formula C13H8Cl3F3N2 and a molecular weight of 355.57 g/mol. Its IUPAC name is 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
PubChem CID116698705
Molecular FormulaC13H8Cl3F3N2
Molecular Weight355.57 g/mol
Exact Mass353.97
IUPAC Name4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1cc(Cl)c(Cl)cc1Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H8Cl3F3N2/c14-7-1-6(13(17,18)19)2-8(3-7)21-12-5-10(16)9(15)4-11(12)20/h1-5,21H,20H2
InChIKeySGHLECIDYQTBGF-UHFFFAOYSA-N
XLogP5.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 116698695
4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 107363679
4-N-[3-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 116701008
6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 116700995
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067186
4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115468541
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107371102
1-N-(3,5-dichlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589866
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol
CID 141052618

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine (CID 116698705) is 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine is Nc1cc(Cl)c(Cl)cc1Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The InChIKey is SGHLECIDYQTBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3F3N2/c14-7-1-6(13(17,18)19)2-8(3-7)21-12-5-10(16)9(15)4-11(12)20/h1-5,21H,20H2.
What are the key properties of 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine?
4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine has a molecular weight of 355.57 g/mol, XLogP of 5.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 116698705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).