(3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine

C5H8FN — CID 166768312

IUPAC(3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine
SMILESC=C(/C=C/F)NC
InChIInChI=1S/C5H8FN/c1-5(7-2)3-4-6/h3-4,7H,1H2,2H3/b4-3+
InChIKeyUWAXSSKWKDWUJG-ONEGZZNKSA-N
MW101.12 g/mol
LogP1.20
Rot. Bonds2

About (3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine

(3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine (PubChem CID 166768312) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is (3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine
PubChem CID166768312
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine
SMILESC=C(/C=C/F)NC
InChIInChI=1S/C5H8FN/c1-5(7-2)3-4-6/h3-4,7H,1H2,2H3/b4-3+
InChIKeyUWAXSSKWKDWUJG-ONEGZZNKSA-N
XLogP1.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine?
The IUPAC name of (3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine (CID 166768312) is (3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine?
The canonical SMILES for (3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine is C=C(/C=C/F)NC.
What is the InChIKey of (3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine?
The InChIKey is UWAXSSKWKDWUJG-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8FN/c1-5(7-2)3-4-6/h3-4,7H,1H2,2H3/b4-3+.
What are the key properties of (3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine?
(3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine has a molecular weight of 101.12 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-N-methylbuta-1,3-dien-2-amine is sourced from PubChem (CID 166768312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).