(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine

C8H10FN — CID 163583953

IUPAC(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
SMILESC=C/C=C(\C=C\F)/C=N/C
InChIInChI=1S/C8H10FN/c1-3-4-8(5-6-9)7-10-2/h3-7H,1H2,2H3/b6-5+,8-4+,10-7+
InChIKeyGJXGJVHNLNTUIB-AMPMGUEKSA-N
MW139.17 g/mol
LogP2.28
Rot. Bonds3

About (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine

(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine (PubChem CID 163583953) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
PubChem CID163583953
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
SMILESC=C/C=C(\C=C\F)/C=N/C
InChIInChI=1S/C8H10FN/c1-3-4-8(5-6-9)7-10-2/h3-7H,1H2,2H3/b6-5+,8-4+,10-7+
InChIKeyGJXGJVHNLNTUIB-AMPMGUEKSA-N
XLogP2.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.28
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'}

Analyze (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-(methyliminomethyl)penta-2,4-dienamide
CID 143715674
(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine
CID 142143345
(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine
CID 156736104
(2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 177318702
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine
CID 143612391
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen
CID 143290787
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride
CID 143998340
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
methyl thiohypofluorite;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienal
CID 142138800

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine (CID 163583953) is (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine is C=C/C=C(\C=C\F)/C=N/C.
What is the InChIKey of (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine?
The InChIKey is GJXGJVHNLNTUIB-AMPMGUEKSA-N. The full InChI is InChI=1S/C8H10FN/c1-3-4-8(5-6-9)7-10-2/h3-7H,1H2,2H3/b6-5+,8-4+,10-7+.
What are the key properties of (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine?
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine has a molecular weight of 139.17 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 163583953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).