(2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride

C19H26F3N — CID 146579920

IUPAC(2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride
SMILES[H]/N=C(F)/C(F)=C(F)\C=C/CC1=C(C)CC(C2CCCCC2)CC1
InChIInChI=1S/C19H26F3N/c1-13-12-16(15-6-3-2-4-7-15)11-10-14(13)8-5-9-17(20)18(21)19(22)23/h5,9,15-16,23H,2-4,6-8,10-12H2,1H3/b9-5-,18-17-,23-19-
InChIKeyFXGAXNHHGAIMQG-SJPQAPHOSA-N
MW325.42 g/mol
LogP6.73
Rot. Bonds5

About (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride

(2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride (PubChem CID 146579920) has the molecular formula C19H26F3N and a molecular weight of 325.42 g/mol. Its IUPAC name is (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride.

Molecular Properties

Compound Name(2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride
PubChem CID146579920
Molecular FormulaC19H26F3N
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name(2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride
SMILES[H]/N=C(F)/C(F)=C(F)\C=C/CC1=C(C)CC(C2CCCCC2)CC1
InChIInChI=1S/C19H26F3N/c1-13-12-16(15-6-3-2-4-7-15)11-10-14(13)8-5-9-17(20)18(21)19(22)23/h5,9,15-16,23H,2-4,6-8,10-12H2,1H3/b9-5-,18-17-,23-19-
InChIKeyFXGAXNHHGAIMQG-SJPQAPHOSA-N
XLogP6.73
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride 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 (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride?
The IUPAC name of (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride (CID 146579920) is (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride.
What is the SMILES notation for (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride?
The canonical SMILES for (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride is [H]/N=C(F)/C(F)=C(F)\C=C/CC1=C(C)CC(C2CCCCC2)CC1.
What is the InChIKey of (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride?
The InChIKey is FXGAXNHHGAIMQG-SJPQAPHOSA-N. The full InChI is InChI=1S/C19H26F3N/c1-13-12-16(15-6-3-2-4-7-15)11-10-14(13)8-5-9-17(20)18(21)19(22)23/h5,9,15-16,23H,2-4,6-8,10-12H2,1H3/b9-5-,18-17-,23-19-.
What are the key properties of (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride?
(2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride has a molecular weight of 325.42 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride is sourced from PubChem (CID 146579920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).