(2E)-3-fluoropenta-2,4-dien-1-amine

C5H8FN — CID 89199945

IUPAC(2E)-3-fluoropenta-2,4-dien-1-amine
SMILESC=C/C(F)=C\CN
InChIInChI=1S/C5H8FN/c1-2-5(6)3-4-7/h2-3H,1,4,7H2/b5-3+
InChIKeyUFHOBZSZJOWVPK-HWKANZROSA-N
MW101.12 g/mol
LogP0.98
Rot. Bonds2

About (2E)-3-fluoropenta-2,4-dien-1-amine

(2E)-3-fluoropenta-2,4-dien-1-amine (PubChem CID 89199945) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is (2E)-3-fluoropenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-3-fluoropenta-2,4-dien-1-amine
PubChem CID89199945
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(2E)-3-fluoropenta-2,4-dien-1-amine
SMILESC=C/C(F)=C\CN
InChIInChI=1S/C5H8FN/c1-2-5(6)3-4-7/h2-3H,1,4,7H2/b5-3+
InChIKeyUFHOBZSZJOWVPK-HWKANZROSA-N
XLogP0.98
TPSA26.02 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 ≤ 50.98
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 (2E)-3-fluoropenta-2,4-dien-1-amine?
The IUPAC name of (2E)-3-fluoropenta-2,4-dien-1-amine (CID 89199945) is (2E)-3-fluoropenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-3-fluoropenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-3-fluoropenta-2,4-dien-1-amine is C=C/C(F)=C\CN.
What is the InChIKey of (2E)-3-fluoropenta-2,4-dien-1-amine?
The InChIKey is UFHOBZSZJOWVPK-HWKANZROSA-N. The full InChI is InChI=1S/C5H8FN/c1-2-5(6)3-4-7/h2-3H,1,4,7H2/b5-3+.
What are the key properties of (2E)-3-fluoropenta-2,4-dien-1-amine?
(2E)-3-fluoropenta-2,4-dien-1-amine has a molecular weight of 101.12 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-fluoropenta-2,4-dien-1-amine is sourced from PubChem (CID 89199945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).