(E)-1-fluorobut-1-en-1-amine

C4H8FN — CID 174005766

IUPAC(E)-1-fluorobut-1-en-1-amine
SMILESCC/C=C(\N)F
InChIInChI=1S/C4H8FN/c1-2-3-4(5)6/h3H,2,6H2,1H3/b4-3-
InChIKeyHKNWULBNHJVDSJ-ARJAWSKDSA-N
MW89.11 g/mol
LogP1.17
Rot. Bonds1

About (E)-1-fluorobut-1-en-1-amine

(E)-1-fluorobut-1-en-1-amine (PubChem CID 174005766) has the molecular formula C4H8FN and a molecular weight of 89.11 g/mol. Its IUPAC name is (E)-1-fluorobut-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-fluorobut-1-en-1-amine
PubChem CID174005766
Molecular FormulaC4H8FN
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC Name(E)-1-fluorobut-1-en-1-amine
SMILESCC/C=C(\N)F
InChIInChI=1S/C4H8FN/c1-2-3-4(5)6/h3H,2,6H2,1H3/b4-3-
InChIKeyHKNWULBNHJVDSJ-ARJAWSKDSA-N
XLogP1.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.11
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-fluorobut-1-en-1-amine 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 (E)-1-fluorobut-1-en-1-amine?
The IUPAC name of (E)-1-fluorobut-1-en-1-amine (CID 174005766) is (E)-1-fluorobut-1-en-1-amine.
What is the SMILES notation for (E)-1-fluorobut-1-en-1-amine?
The canonical SMILES for (E)-1-fluorobut-1-en-1-amine is CC/C=C(\N)F.
What is the InChIKey of (E)-1-fluorobut-1-en-1-amine?
The InChIKey is HKNWULBNHJVDSJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8FN/c1-2-3-4(5)6/h3H,2,6H2,1H3/b4-3-.
What are the key properties of (E)-1-fluorobut-1-en-1-amine?
(E)-1-fluorobut-1-en-1-amine has a molecular weight of 89.11 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluorobut-1-en-1-amine is sourced from PubChem (CID 174005766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).