6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide

C19H30FNO — CID 154665755

IUPAC6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide
SMILESCC1(F)CCC(NC(=O)CCCCCC2=CCCC=C2)CC1
InChIInChI=1S/C19H30FNO/c1-19(20)14-12-17(13-15-19)21-18(22)11-7-3-6-10-16-8-4-2-5-9-16/h4,8-9,17H,2-3,5-7,10-15H2,1H3,(H,21,22)
InChIKeyQIBTYCNGSCZACW-UHFFFAOYSA-N
MW307.45 g/mol
LogP5.00
Rot. Bonds7

About 6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide

6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide (PubChem CID 154665755) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide
PubChem CID154665755
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC Name6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide
SMILESCC1(F)CCC(NC(=O)CCCCCC2=CCCC=C2)CC1
InChIInChI=1S/C19H30FNO/c1-19(20)14-12-17(13-15-19)21-18(22)11-7-3-6-10-16-8-4-2-5-9-16/h4,8-9,17H,2-3,5-7,10-15H2,1H3,(H,21,22)
InChIKeyQIBTYCNGSCZACW-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide (CID 154665755) is 6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide is CC1(F)CCC(NC(=O)CCCCCC2=CCCC=C2)CC1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide?
The InChIKey is QIBTYCNGSCZACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO/c1-19(20)14-12-17(13-15-19)21-18(22)11-7-3-6-10-16-8-4-2-5-9-16/h4,8-9,17H,2-3,5-7,10-15H2,1H3,(H,21,22).
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide?
6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide has a molecular weight of 307.45 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide is sourced from PubChem (CID 154665755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).