1-fluoro-N-methylbut-3-en-1-amine

C5H10FN — CID 139493874

IUPAC1-fluoro-N-methylbut-3-en-1-amine
SMILESC=CCC(F)NC
InChIInChI=1S/C5H10FN/c1-3-4-5(6)7-2/h3,5,7H,1,4H2,2H3
InChIKeyCEPYBDCXXOETHW-UHFFFAOYSA-N
MW103.14 g/mol
LogP1.08
Rot. Bonds3

About 1-fluoro-N-methylbut-3-en-1-amine

1-fluoro-N-methylbut-3-en-1-amine (PubChem CID 139493874) has the molecular formula C5H10FN and a molecular weight of 103.14 g/mol. Its IUPAC name is 1-fluoro-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-fluoro-N-methylbut-3-en-1-amine
PubChem CID139493874
Molecular FormulaC5H10FN
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name1-fluoro-N-methylbut-3-en-1-amine
SMILESC=CCC(F)NC
InChIInChI=1S/C5H10FN/c1-3-4-5(6)7-2/h3,5,7H,1,4H2,2H3
InChIKeyCEPYBDCXXOETHW-UHFFFAOYSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methylbut-3-en-1-amine?
The IUPAC name of 1-fluoro-N-methylbut-3-en-1-amine (CID 139493874) is 1-fluoro-N-methylbut-3-en-1-amine.
What is the SMILES notation for 1-fluoro-N-methylbut-3-en-1-amine?
The canonical SMILES for 1-fluoro-N-methylbut-3-en-1-amine is C=CCC(F)NC.
What is the InChIKey of 1-fluoro-N-methylbut-3-en-1-amine?
The InChIKey is CEPYBDCXXOETHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN/c1-3-4-5(6)7-2/h3,5,7H,1,4H2,2H3.
What are the key properties of 1-fluoro-N-methylbut-3-en-1-amine?
1-fluoro-N-methylbut-3-en-1-amine has a molecular weight of 103.14 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methylbut-3-en-1-amine is sourced from PubChem (CID 139493874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).