(3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine

C19H25F2N — CID 89472435

IUPAC(3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine
SMILESC/C=C\C=C/C(Cc1c(C)cc(F)cc1F)=N\C(C)(C)CC
InChIInChI=1S/C19H25F2N/c1-6-8-9-10-16(22-19(4,5)7-2)13-17-14(3)11-15(20)12-18(17)21/h6,8-12H,7,13H2,1-5H3/b8-6-,10-9-,22-16+
InChIKeyFYJNHQMSGNOWRC-WTYRTUIHSA-N
MW305.41 g/mol
LogP5.58
Rot. Bonds6

About (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine

(3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine (PubChem CID 89472435) has the molecular formula C19H25F2N and a molecular weight of 305.41 g/mol. Its IUPAC name is (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine
PubChem CID89472435
Molecular FormulaC19H25F2N
Molecular Weight305.41 g/mol
Exact Mass305.20
IUPAC Name(3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine
SMILESC/C=C\C=C/C(Cc1c(C)cc(F)cc1F)=N\C(C)(C)CC
InChIInChI=1S/C19H25F2N/c1-6-8-9-10-16(22-19(4,5)7-2)13-17-14(3)11-15(20)12-18(17)21/h6,8-12H,7,13H2,1-5H3/b8-6-,10-9-,22-16+
InChIKeyFYJNHQMSGNOWRC-WTYRTUIHSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.41
LogP ≤ 55.58
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 (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-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 (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine (CID 89472435) is (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine is C/C=C\C=C/C(Cc1c(C)cc(F)cc1F)=N\C(C)(C)CC.
What is the InChIKey of (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine?
The InChIKey is FYJNHQMSGNOWRC-WTYRTUIHSA-N. The full InChI is InChI=1S/C19H25F2N/c1-6-8-9-10-16(22-19(4,5)7-2)13-17-14(3)11-15(20)12-18(17)21/h6,8-12H,7,13H2,1-5H3/b8-6-,10-9-,22-16+.
What are the key properties of (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine?
(3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine has a molecular weight of 305.41 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-(2,4-difluoro-6-methylphenyl)-N-(2-methylbutan-2-yl)hepta-3,5-dien-2-imine is sourced from PubChem (CID 89472435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).