4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine

C8H9ClF2N2 — CID 115469180

IUPAC4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NCC(F)F
InChIInChI=1S/C8H9ClF2N2/c9-5-1-2-6(12)7(3-5)13-4-8(10)11/h1-3,8,13H,4,12H2
InChIKeyXMMPFUYROFAWLF-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.60
Rot. Bonds3

About 4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine

4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine (PubChem CID 115469180) has the molecular formula C8H9ClF2N2 and a molecular weight of 206.62 g/mol. Its IUPAC name is 4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
PubChem CID115469180
Molecular FormulaC8H9ClF2N2
Molecular Weight206.62 g/mol
Exact Mass206.04
IUPAC Name4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NCC(F)F
InChIInChI=1S/C8H9ClF2N2/c9-5-1-2-6(12)7(3-5)13-4-8(10)11/h1-3,8,13H,4,12H2
InChIKeyXMMPFUYROFAWLF-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-N-(2,2-difluoroethyl)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

4-chloro-2-N-(2,3-dimethylbutyl)benzene-1,2-diamine
CID 115469039
1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol
CID 107151018
4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 115468475
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 11254350
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497
4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 115468900
3-[(2-amino-5-chloroanilino)methyl]pentan-3-ol
CID 115469059
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
2-(2-amino-5-chloroanilino)ethyl thiocyanate
CID 130155435
2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol
CID 115468899

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine (CID 115469180) is 4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine is Nc1ccc(Cl)cc1NCC(F)F.
What is the InChIKey of 4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine?
The InChIKey is XMMPFUYROFAWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2/c9-5-1-2-6(12)7(3-5)13-4-8(10)11/h1-3,8,13H,4,12H2.
What are the key properties of 4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine?
4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine has a molecular weight of 206.62 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine is sourced from PubChem (CID 115469180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).