N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine

C7H8FN — CID 130360998

IUPACN-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine
SMILESC=C=N/C(C)=C/C(=C)F
InChIInChI=1S/C7H8FN/c1-4-9-7(3)5-6(2)8/h5H,1-2H2,3H3/b7-5+
InChIKeyKBNIWXVOFOWYOC-FNORWQNLSA-N
MW125.15 g/mol
LogP2.23
Rot. Bonds2

About N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine

N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine (PubChem CID 130360998) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine.

Molecular Properties

Compound NameN-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine
PubChem CID130360998
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC NameN-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine
SMILESC=C=N/C(C)=C/C(=C)F
InChIInChI=1S/C7H8FN/c1-4-9-7(3)5-6(2)8/h5H,1-2H2,3H3/b7-5+
InChIKeyKBNIWXVOFOWYOC-FNORWQNLSA-N
XLogP2.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(3E)-3-fluoropenta-1,3-dien-2-yl]propan-2-imine
CID 123336614
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]propan-2-imine
CID 142050176
N-[(2Z,4Z)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride
CID 155050849
N-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
N-[(2Z,4E)-4-fluorohexa-2,4-dien-2-yl]methanimine
CID 164071677
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]methanimine
CID 162760953
N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
CID 176684240
ethane;N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]methanimine
CID 162760952
ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
CID 176684239

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine?
The IUPAC name of N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine (CID 130360998) is N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine.
What is the SMILES notation for N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine?
The canonical SMILES for N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine is C=C=N/C(C)=C/C(=C)F.
What is the InChIKey of N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine?
The InChIKey is KBNIWXVOFOWYOC-FNORWQNLSA-N. The full InChI is InChI=1S/C7H8FN/c1-4-9-7(3)5-6(2)8/h5H,1-2H2,3H3/b7-5+.
What are the key properties of N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine?
N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine has a molecular weight of 125.15 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine is sourced from PubChem (CID 130360998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).