N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine

C8H9ClF2N2 — CID 130589041

IUPACN'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
SMILESNCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C8H9ClF2N2/c9-6-3-5(10)4-7(11)8(6)13-2-1-12/h3-4,13H,1-2,12H2
InChIKeyKTFMCNHLWKQYEN-UHFFFAOYSA-N
MW206.62 g/mol
LogP1.99
Rot. Bonds3

About N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine

N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine (PubChem CID 130589041) has the molecular formula C8H9ClF2N2 and a molecular weight of 206.62 g/mol. Its IUPAC name is N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
PubChem CID130589041
Molecular FormulaC8H9ClF2N2
Molecular Weight206.62 g/mol
Exact Mass206.04
IUPAC NameN'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
SMILESNCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C8H9ClF2N2/c9-6-3-5(10)4-7(11)8(6)13-2-1-12/h3-4,13H,1-2,12H2
InChIKeyKTFMCNHLWKQYEN-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-(2-chloro-4,6-difluorophenyl)ethane-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-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
4-(2-chloro-4,6-difluoroanilino)butan-1-ol
CID 83081105
3-(2-chloro-4,6-difluoroanilino)propanenitrile
CID 83081189
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
CID 82889250
6-(2-chloro-4,6-difluoroanilino)hexanoic acid
CID 83082133
2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
CID 83088365
2-chloro-N-[(E)-4-chlorobut-2-enyl]-4,6-difluoroaniline
CID 83087178
2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 83073516
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide
CID 82889170
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine (CID 130589041) is N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine is NCCNc1c(F)cc(F)cc1Cl.
What is the InChIKey of N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine?
The InChIKey is KTFMCNHLWKQYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2/c9-6-3-5(10)4-7(11)8(6)13-2-1-12/h3-4,13H,1-2,12H2.
What are the key properties of N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine?
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine has a molecular weight of 206.62 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 130589041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).