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

C5H8FN — CID 89416500

IUPAC(2E)-3-fluoropenta-2,4-dien-2-amine
SMILESC=C/C(F)=C(/C)N
InChIInChI=1S/C5H8FN/c1-3-5(6)4(2)7/h3H,1,7H2,2H3/b5-4+
InChIKeyXJJNCTUVNLMEND-SNAWJCMRSA-N
MW101.12 g/mol
LogP1.33
Rot. Bonds1

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

(2E)-3-fluoropenta-2,4-dien-2-amine (PubChem CID 89416500) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is (2E)-3-fluoropenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-3-fluoropenta-2,4-dien-2-amine
PubChem CID89416500
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(2E)-3-fluoropenta-2,4-dien-2-amine
SMILESC=C/C(F)=C(/C)N
InChIInChI=1S/C5H8FN/c1-3-5(6)4(2)7/h3H,1,7H2,2H3/b5-4+
InChIKeyXJJNCTUVNLMEND-SNAWJCMRSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.33
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-2-amine?
The IUPAC name of (2E)-3-fluoropenta-2,4-dien-2-amine (CID 89416500) is (2E)-3-fluoropenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-3-fluoropenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-3-fluoropenta-2,4-dien-2-amine is C=C/C(F)=C(/C)N.
What is the InChIKey of (2E)-3-fluoropenta-2,4-dien-2-amine?
The InChIKey is XJJNCTUVNLMEND-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8FN/c1-3-5(6)4(2)7/h3H,1,7H2,2H3/b5-4+.
What are the key properties of (2E)-3-fluoropenta-2,4-dien-2-amine?
(2E)-3-fluoropenta-2,4-dien-2-amine has a molecular weight of 101.12 g/mol, XLogP of 1.33, 1 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-2-amine is sourced from PubChem (CID 89416500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).