1-fluoroethane-1,2-diamine

C2H7FN2 — CID 18353891

IUPAC1-fluoroethane-1,2-diamine
SMILESNCC(N)F
InChIInChI=1S/C2H7FN2/c3-2(5)1-4/h2H,1,4-5H2
InChIKeyGSXHWJQKHRLETH-UHFFFAOYSA-N
MW78.09 g/mol
LogP-0.80
Rot. Bonds1

About 1-fluoroethane-1,2-diamine

1-fluoroethane-1,2-diamine (PubChem CID 18353891) has the molecular formula C2H7FN2 and a molecular weight of 78.09 g/mol. Its IUPAC name is 1-fluoroethane-1,2-diamine.

Molecular Properties

Compound Name1-fluoroethane-1,2-diamine
PubChem CID18353891
Molecular FormulaC2H7FN2
Molecular Weight78.09 g/mol
Exact Mass78.06
IUPAC Name1-fluoroethane-1,2-diamine
SMILESNCC(N)F
InChIInChI=1S/C2H7FN2/c3-2(5)1-4/h2H,1,4-5H2
InChIKeyGSXHWJQKHRLETH-UHFFFAOYSA-N
XLogP-0.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.09
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-fluoroethane-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

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethane-1,2-diamine?
The IUPAC name of 1-fluoroethane-1,2-diamine (CID 18353891) is 1-fluoroethane-1,2-diamine.
What is the SMILES notation for 1-fluoroethane-1,2-diamine?
The canonical SMILES for 1-fluoroethane-1,2-diamine is NCC(N)F.
What is the InChIKey of 1-fluoroethane-1,2-diamine?
The InChIKey is GSXHWJQKHRLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7FN2/c3-2(5)1-4/h2H,1,4-5H2.
What are the key properties of 1-fluoroethane-1,2-diamine?
1-fluoroethane-1,2-diamine has a molecular weight of 78.09 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethane-1,2-diamine is sourced from PubChem (CID 18353891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).