(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine

C8H12FN — CID 156851749

IUPAC(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
SMILESC=C/C=C(F)\C(CC)=N\C
InChIInChI=1S/C8H12FN/c1-4-6-7(9)8(5-2)10-3/h4,6H,1,5H2,2-3H3/b7-6+,10-8+
InChIKeyTVRGWXKKRRTECU-LQPGMRSMSA-N
MW141.19 g/mol
LogP2.51
Rot. Bonds3

About (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine

(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine (PubChem CID 156851749) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
PubChem CID156851749
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
SMILESC=C/C=C(F)\C(CC)=N\C
InChIInChI=1S/C8H12FN/c1-4-6-7(9)8(5-2)10-3/h4,6H,1,5H2,2-3H3/b7-6+,10-8+
InChIKeyTVRGWXKKRRTECU-LQPGMRSMSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.51
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 (4E)-4-fluoro-N-methylhepta-4,6-dien-3-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

N-cyclopropyl-4-fluorocyclohexa-2,4-dien-1-imine
CID 21664188
2-fluoro-N-prop-2-enylcyclohexa-2,4-dien-1-imine
CID 67831161
2-fluoro-N-pentylcyclohexa-2,4-dien-1-imine
CID 67831795
(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
CID 67991646
N-tert-butyl-6-fluorocyclohexa-2,4-dien-1-imine
CID 69577422
N-tert-butyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 69577423
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
(Z)-N-(trifluoromethyl)hex-4-en-3-imine
CID 123213688
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
(4E)-5-fluorohepta-4,6-dien-3-imine
CID 123678972

Frequently Asked Questions

What is the IUPAC name of (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine?
The IUPAC name of (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine (CID 156851749) is (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine?
The canonical SMILES for (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine is C=C/C=C(F)\C(CC)=N\C.
What is the InChIKey of (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine?
The InChIKey is TVRGWXKKRRTECU-LQPGMRSMSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-6-7(9)8(5-2)10-3/h4,6H,1,5H2,2-3H3/b7-6+,10-8+.
What are the key properties of (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine?
(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine has a molecular weight of 141.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine is sourced from PubChem (CID 156851749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).