2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine

C13H9ClF4N2O — CID 63592041

IUPAC2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(F)c(OC(F)F)cc1Nc1cccc(Cl)c1F
InChIInChI=1S/C13H9ClF4N2O/c14-6-2-1-3-9(12(6)16)20-10-5-11(21-13(17)18)7(15)4-8(10)19/h1-5,13,20H,19H2
InChIKeyLSLQJGYKFTWXET-UHFFFAOYSA-N
MW320.67 g/mol
LogP4.55
Rot. Bonds4

About 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine

2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine (PubChem CID 63592041) has the molecular formula C13H9ClF4N2O and a molecular weight of 320.67 g/mol. Its IUPAC name is 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
PubChem CID63592041
Molecular FormulaC13H9ClF4N2O
Molecular Weight320.67 g/mol
Exact Mass320.03
IUPAC Name2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(F)c(OC(F)F)cc1Nc1cccc(Cl)c1F
InChIInChI=1S/C13H9ClF4N2O/c14-6-2-1-3-9(12(6)16)20-10-5-11(21-13(17)18)7(15)4-8(10)19/h1-5,13,20H,19H2
InChIKeyLSLQJGYKFTWXET-UHFFFAOYSA-N
XLogP4.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.67
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-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

2-N-(3-chloro-2-methylphenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63593804
4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine
CID 63592922
4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
CID 63593633
2-N-(2-bromo-3-chlorophenyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 103477452
2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine
CID 43329050
1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593134
4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63593460
1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592569
3-N-(3-chloro-2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 55147951
4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine
CID 68510717
2-[(2-chlorophenyl)methylsulfanyl]-4-(difluoromethoxy)-5-fluoroaniline
CID 103288221
1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine (CID 63592041) is 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine is Nc1cc(F)c(OC(F)F)cc1Nc1cccc(Cl)c1F.
What is the InChIKey of 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine?
The InChIKey is LSLQJGYKFTWXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF4N2O/c14-6-2-1-3-9(12(6)16)20-10-5-11(21-13(17)18)7(15)4-8(10)19/h1-5,13,20H,19H2.
What are the key properties of 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine?
2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine has a molecular weight of 320.67 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 63592041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).