2-fluoro-N-(2-fluoroethyl)ethanamine

C4H9F2N — CID 15746

IUPAC2-fluoro-N-(2-fluoroethyl)ethanamine
SMILESFCCNCCF
InChIInChI=1S/C4H9F2N/c5-1-3-7-4-2-6/h7H,1-4H2
InChIKeySPUSFHUCTMCJRT-UHFFFAOYSA-N
MW109.12 g/mol
LogP0.51
Rot. Bonds4

About 2-fluoro-N-(2-fluoroethyl)ethanamine

2-fluoro-N-(2-fluoroethyl)ethanamine (PubChem CID 15746) has the molecular formula C4H9F2N and a molecular weight of 109.12 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluoroethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-(2-fluoroethyl)ethanamine
PubChem CID15746
Molecular FormulaC4H9F2N
Molecular Weight109.12 g/mol
Exact Mass109.07
IUPAC Name2-fluoro-N-(2-fluoroethyl)ethanamine
SMILESFCCNCCF
InChIInChI=1S/C4H9F2N/c5-1-3-7-4-2-6/h7H,1-4H2
InChIKeySPUSFHUCTMCJRT-UHFFFAOYSA-N
XLogP0.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-(2-fluoroethyl)ethanamine 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 2-fluoro-N-(2-fluoroethyl)ethanamine?
The IUPAC name of 2-fluoro-N-(2-fluoroethyl)ethanamine (CID 15746) is 2-fluoro-N-(2-fluoroethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-(2-fluoroethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-(2-fluoroethyl)ethanamine is FCCNCCF.
What is the InChIKey of 2-fluoro-N-(2-fluoroethyl)ethanamine?
The InChIKey is SPUSFHUCTMCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N/c5-1-3-7-4-2-6/h7H,1-4H2.
What are the key properties of 2-fluoro-N-(2-fluoroethyl)ethanamine?
2-fluoro-N-(2-fluoroethyl)ethanamine has a molecular weight of 109.12 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluoroethyl)ethanamine is sourced from PubChem (CID 15746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).