(Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine

C23H27F4N — CID 139563424

IUPAC(Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine
SMILESC=C/C=C\N=C(/C)C(=C)CCC(=C)C(=C)/C=C\C1=C(C)CC(F)(F)C(F)(F)C1
InChIInChI=1S/C23H27F4N/c1-7-8-13-28-20(6)18(4)10-9-16(2)17(3)11-12-21-15-23(26,27)22(24,25)14-19(21)5/h7-8,11-13H,1-4,9-10,14-15H2,5-6H3/b12-11-,13-8-,28-20+
InChIKeyCTFIUHABPDATSV-NDFYVRALSA-N
MW393.47 g/mol
LogP7.53
Rot. Bonds9

About (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine

(Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine (PubChem CID 139563424) has the molecular formula C23H27F4N and a molecular weight of 393.47 g/mol. Its IUPAC name is (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine.

Molecular Properties

Compound Name(Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine
PubChem CID139563424
Molecular FormulaC23H27F4N
Molecular Weight393.47 g/mol
Exact Mass393.21
IUPAC Name(Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine
SMILESC=C/C=C\N=C(/C)C(=C)CCC(=C)C(=C)/C=C\C1=C(C)CC(F)(F)C(F)(F)C1
InChIInChI=1S/C23H27F4N/c1-7-8-13-28-20(6)18(4)10-9-16(2)17(3)11-12-21-15-23(26,27)22(24,25)14-19(21)5/h7-8,11-13H,1-4,9-10,14-15H2,5-6H3/b12-11-,13-8-,28-20+
InChIKeyCTFIUHABPDATSV-NDFYVRALSA-N
XLogP7.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-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 (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine?
The IUPAC name of (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine (CID 139563424) is (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine.
What is the SMILES notation for (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine?
The canonical SMILES for (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine is C=C/C=C\N=C(/C)C(=C)CCC(=C)C(=C)/C=C\C1=C(C)CC(F)(F)C(F)(F)C1.
What is the InChIKey of (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine?
The InChIKey is CTFIUHABPDATSV-NDFYVRALSA-N. The full InChI is InChI=1S/C23H27F4N/c1-7-8-13-28-20(6)18(4)10-9-16(2)17(3)11-12-21-15-23(26,27)22(24,25)14-19(21)5/h7-8,11-13H,1-4,9-10,14-15H2,5-6H3/b12-11-,13-8-,28-20+.
What are the key properties of (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine?
(Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine has a molecular weight of 393.47 g/mol, XLogP of 7.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine is sourced from PubChem (CID 139563424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).