1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine

C8H10ClFN2 — CID 55270283

IUPAC1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(F)cc1Cl
InChIInChI=1S/C8H10ClFN2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,8H,4,11-12H2
InChIKeySLFSQUZBFDAMPF-UHFFFAOYSA-N
MW188.63 g/mol
LogP1.44
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine

1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine (PubChem CID 55270283) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
PubChem CID55270283
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(F)cc1Cl
InChIInChI=1S/C8H10ClFN2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,8H,4,11-12H2
InChIKeySLFSQUZBFDAMPF-UHFFFAOYSA-N
XLogP1.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chloro-4-fluorophenyl)pentane-1,5-diamine
CID 171204201
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
1-(2-chloro-4-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693361
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 61077601
(1S)-1-(2,3-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 66517407
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
4-amino-4-(2-chloro-4-fluorophenyl)butanoic acid
CID 84695091

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine (CID 55270283) is 1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine is NCC(N)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is SLFSQUZBFDAMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,8H,4,11-12H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine?
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 188.63 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 55270283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).