(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine

C13H20FN — CID 177040437

IUPAC(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine
SMILESC/C=C(C)\C=C(F)/C(CC)=N/C(C)=C\C
InChIInChI=1S/C13H20FN/c1-6-10(4)9-12(14)13(8-3)15-11(5)7-2/h6-7,9H,8H2,1-5H3/b10-6-,11-7-,12-9+,15-13+
InChIKeyIVFBSYLZWQYZRG-PARVTFODSA-N
MW209.31 g/mol
LogP4.58
Rot. Bonds4

About (4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine

(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine (PubChem CID 177040437) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine
PubChem CID177040437
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine
SMILESC/C=C(C)\C=C(F)/C(CC)=N/C(C)=C\C
InChIInChI=1S/C13H20FN/c1-6-10(4)9-12(14)13(8-3)15-11(5)7-2/h6-7,9H,8H2,1-5H3/b10-6-,11-7-,12-9+,15-13+
InChIKeyIVFBSYLZWQYZRG-PARVTFODSA-N
XLogP4.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.58
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,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-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

3a-Fluoro-2-methylindole
CID 68281758
(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
CID 89010256
(6E)-2-(difluoromethyl)-6-ethylidene-3,4-dimethyl-5-methylidenepyridine
CID 117618725
N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
CID 123669970
(3E,5E)-6-fluoro-N-[(E)-pent-2-en-4-yn-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
CID 129210535
N-[(E)-3-(2,4,6-trifluorocyclohexa-1,3-dien-1-yl)but-2-en-2-yl]propan-2-imine
CID 134342924
(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
CID 134448737
3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride
CID 137384126
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
N-[(2Z,4Z,6E)-3-(difluoromethyl)-5,7-dimethylnona-2,4,6-trien-2-yl]butan-2-imine
CID 139564602
N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 142320203
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine?
The IUPAC name of (4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine (CID 177040437) is (4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine.
What is the SMILES notation for (4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine?
The canonical SMILES for (4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine is C/C=C(C)\C=C(F)/C(CC)=N/C(C)=C\C.
What is the InChIKey of (4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine?
The InChIKey is IVFBSYLZWQYZRG-PARVTFODSA-N. The full InChI is InChI=1S/C13H20FN/c1-6-10(4)9-12(14)13(8-3)15-11(5)7-2/h6-7,9H,8H2,1-5H3/b10-6-,11-7-,12-9+,15-13+.
What are the key properties of (4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine?
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine has a molecular weight of 209.31 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine is sourced from PubChem (CID 177040437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).