1-fluorobut-3-en-2-amine

C4H8FN — CID 20521903

IUPAC1-fluorobut-3-en-2-amine
SMILESC=CC(N)CF
InChIInChI=1S/C4H8FN/c1-2-4(6)3-5/h2,4H,1,3,6H2
InChIKeyDDMNKCNXQGQSSZ-UHFFFAOYSA-N
MW89.11 g/mol
LogP0.47
Rot. Bonds2

About 1-fluorobut-3-en-2-amine

1-fluorobut-3-en-2-amine (PubChem CID 20521903) has the molecular formula C4H8FN and a molecular weight of 89.11 g/mol. Its IUPAC name is 1-fluorobut-3-en-2-amine.

Molecular Properties

Compound Name1-fluorobut-3-en-2-amine
PubChem CID20521903
Molecular FormulaC4H8FN
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC Name1-fluorobut-3-en-2-amine
SMILESC=CC(N)CF
InChIInChI=1S/C4H8FN/c1-2-4(6)3-5/h2,4H,1,3,6H2
InChIKeyDDMNKCNXQGQSSZ-UHFFFAOYSA-N
XLogP0.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.11
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobut-3-en-2-amine?
The IUPAC name of 1-fluorobut-3-en-2-amine (CID 20521903) is 1-fluorobut-3-en-2-amine.
What is the SMILES notation for 1-fluorobut-3-en-2-amine?
The canonical SMILES for 1-fluorobut-3-en-2-amine is C=CC(N)CF.
What is the InChIKey of 1-fluorobut-3-en-2-amine?
The InChIKey is DDMNKCNXQGQSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN/c1-2-4(6)3-5/h2,4H,1,3,6H2.
What are the key properties of 1-fluorobut-3-en-2-amine?
1-fluorobut-3-en-2-amine has a molecular weight of 89.11 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobut-3-en-2-amine is sourced from PubChem (CID 20521903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).