(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine

C18H22FN — CID 126516076

IUPAC(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
SMILESC=C/N=C/C(=C/C=C(C)/C(/C=C\C)=C/C(=C)F)C(=C)C
InChIInChI=1S/C18H22FN/c1-7-9-17(12-16(6)19)15(5)10-11-18(14(3)4)13-20-8-2/h7-13H,2-3,6H2,1,4-5H3/b9-7-,15-10+,17-12+,18-11-,20-13+
InChIKeyFQOCIASARMFZFA-QUXJHBHZSA-N
MW271.38 g/mol
LogP5.64
Rot. Bonds7

About (2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine

(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine (PubChem CID 126516076) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is (2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
PubChem CID126516076
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
SMILESC=C/N=C/C(=C/C=C(C)/C(/C=C\C)=C/C(=C)F)C(=C)C
InChIInChI=1S/C18H22FN/c1-7-9-17(12-16(6)19)15(5)10-11-18(14(3)4)13-20-8-2/h7-13H,2-3,6H2,1,4-5H3/b9-7-,15-10+,17-12+,18-11-,20-13+
InChIKeyFQOCIASARMFZFA-QUXJHBHZSA-N
XLogP5.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.38
LogP ≤ 55.64
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,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-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

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine (CID 126516076) is (2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for (2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine is C=C/N=C/C(=C/C=C(C)/C(/C=C\C)=C/C(=C)F)C(=C)C.
What is the InChIKey of (2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine?
The InChIKey is FQOCIASARMFZFA-QUXJHBHZSA-N. The full InChI is InChI=1S/C18H22FN/c1-7-9-17(12-16(6)19)15(5)10-11-18(14(3)4)13-20-8-2/h7-13H,2-3,6H2,1,4-5H3/b9-7-,15-10+,17-12+,18-11-,20-13+.
What are the key properties of (2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine?
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine has a molecular weight of 271.38 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 126516076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).