(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine

C18H26FN — CID 153399956

IUPAC(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
SMILES[H]/N=C(/C=C\CCC(C)C1=CC=C(F)CC1C)CCC=C
InChIInChI=1S/C18H26FN/c1-4-5-9-17(20)10-7-6-8-14(2)18-12-11-16(19)13-15(18)3/h4,7,10-12,14-15,20H,1,5-6,8-9,13H2,2-3H3/b10-7-,20-17+
InChIKeyIGZNMYOCFFJAJQ-SIQBGGTGSA-N
MW275.41 g/mol
LogP5.76
Rot. Bonds8

About (6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine

(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine (PubChem CID 153399956) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is (6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine.

Molecular Properties

Compound Name(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
PubChem CID153399956
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
SMILES[H]/N=C(/C=C\CCC(C)C1=CC=C(F)CC1C)CCC=C
InChIInChI=1S/C18H26FN/c1-4-5-9-17(20)10-7-6-8-14(2)18-12-11-16(19)13-15(18)3/h4,7,10-12,14-15,20H,1,5-6,8-9,13H2,2-3H3/b10-7-,20-17+
InChIKeyIGZNMYOCFFJAJQ-SIQBGGTGSA-N
XLogP5.76
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.41
LogP ≤ 55.76
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'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine?
The IUPAC name of (6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine (CID 153399956) is (6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine.
What is the SMILES notation for (6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine?
The canonical SMILES for (6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine is [H]/N=C(/C=C\CCC(C)C1=CC=C(F)CC1C)CCC=C.
What is the InChIKey of (6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine?
The InChIKey is IGZNMYOCFFJAJQ-SIQBGGTGSA-N. The full InChI is InChI=1S/C18H26FN/c1-4-5-9-17(20)10-7-6-8-14(2)18-12-11-16(19)13-15(18)3/h4,7,10-12,14-15,20H,1,5-6,8-9,13H2,2-3H3/b10-7-,20-17+.
What are the key properties of (6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine?
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine has a molecular weight of 275.41 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine is sourced from PubChem (CID 153399956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).