1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine

C10H13ClF2N2 — CID 115406269

IUPAC1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)F)c1ccccc1Cl
InChIInChI=1S/C10H13ClF2N2/c11-8-4-2-1-3-7(8)9(5-14)15-6-10(12)13/h1-4,9-10,15H,5-6,14H2
InChIKeyAHLXBEUSNOZVEN-UHFFFAOYSA-N
MW234.68 g/mol
LogP2.19
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine

1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine (PubChem CID 115406269) has the molecular formula C10H13ClF2N2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
PubChem CID115406269
Molecular FormulaC10H13ClF2N2
Molecular Weight234.68 g/mol
Exact Mass234.07
IUPAC Name1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)F)c1ccccc1Cl
InChIInChI=1S/C10H13ClF2N2/c11-8-4-2-1-3-7(8)9(5-14)15-6-10(12)13/h1-4,9-10,15H,5-6,14H2
InChIKeyAHLXBEUSNOZVEN-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912678
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
CID 81378188
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 115406339
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193599
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000
N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 113303693
N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 107364606
3-(2-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105454000
1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383918
2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054751

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine (CID 115406269) is 1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine is NCC(NCC(F)F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine?
The InChIKey is AHLXBEUSNOZVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2/c11-8-4-2-1-3-7(8)9(5-14)15-6-10(12)13/h1-4,9-10,15H,5-6,14H2.
What are the key properties of 1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine?
1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine has a molecular weight of 234.68 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 115406269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).