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

C5H8FN — CID 126539796

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

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

(2E)-4-fluoropenta-2,4-dien-2-amine (PubChem CID 126539796) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is (2E)-4-fluoropenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-4-fluoropenta-2,4-dien-2-amine
PubChem CID126539796
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(2E)-4-fluoropenta-2,4-dien-2-amine
SMILESC=C(F)/C=C(\C)N
InChIInChI=1S/C5H8FN/c1-4(6)3-5(2)7/h3H,1,7H2,2H3/b5-3+
InChIKeyLQONEUOKDRKJPQ-HWKANZROSA-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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Related Compounds

Methylpropenamine
CID 6713387
Methylpropylene amine
CID 12603154
Methylpropyleneamine
CID 12603155
(3E)-3-fluorohexa-1,3,5-trien-2-amine
CID 88544925
(2Z,4Z)-6-fluorohexa-2,4-diene-2,3-diamine
CID 88908044
(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
(2E,4E)-2-fluorohepta-2,4-dien-4-amine
CID 88953573
(2Z,4Z)-5-fluoropenta-2,4-dien-2-amine
CID 89029579
(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine
CID 89073850
(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine
CID 89074081
(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine
CID 89076302

Frequently Asked Questions

What is the IUPAC name of (2E)-4-fluoropenta-2,4-dien-2-amine?
The IUPAC name of (2E)-4-fluoropenta-2,4-dien-2-amine (CID 126539796) is (2E)-4-fluoropenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-4-fluoropenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-4-fluoropenta-2,4-dien-2-amine is C=C(F)/C=C(\C)N.
What is the InChIKey of (2E)-4-fluoropenta-2,4-dien-2-amine?
The InChIKey is LQONEUOKDRKJPQ-HWKANZROSA-N. The full InChI is InChI=1S/C5H8FN/c1-4(6)3-5(2)7/h3H,1,7H2,2H3/b5-3+.
What are the key properties of (2E)-4-fluoropenta-2,4-dien-2-amine?
(2E)-4-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)-4-fluoropenta-2,4-dien-2-amine is sourced from PubChem (CID 126539796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).