(4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide

C16H26FNO2 — CID 89049865

IUPAC(4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide
SMILESC/C(F)=C\C=C(/C)CCC(=O)NC1CCCCC1CO
InChIInChI=1S/C16H26FNO2/c1-12(7-9-13(2)17)8-10-16(20)18-15-6-4-3-5-14(15)11-19/h7,9,14-15,19H,3-6,8,10-11H2,1-2H3,(H,18,20)/b12-7+,13-9+
InChIKeyCXYMBIFLRPJDSM-QYFNTBEASA-N
MW283.39 g/mol
LogP3.25
Rot. Bonds6

About (4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide

(4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide (PubChem CID 89049865) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is (4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide.

Molecular Properties

Compound Name(4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide
PubChem CID89049865
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name(4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide
SMILESC/C(F)=C\C=C(/C)CCC(=O)NC1CCCCC1CO
InChIInChI=1S/C16H26FNO2/c1-12(7-9-13(2)17)8-10-16(20)18-15-6-4-3-5-14(15)11-19/h7,9,14-15,19H,3-6,8,10-11H2,1-2H3,(H,18,20)/b12-7+,13-9+
InChIKeyCXYMBIFLRPJDSM-QYFNTBEASA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide?
The IUPAC name of (4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide (CID 89049865) is (4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide.
What is the SMILES notation for (4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide?
The canonical SMILES for (4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide is C/C(F)=C\C=C(/C)CCC(=O)NC1CCCCC1CO.
What is the InChIKey of (4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide?
The InChIKey is CXYMBIFLRPJDSM-QYFNTBEASA-N. The full InChI is InChI=1S/C16H26FNO2/c1-12(7-9-13(2)17)8-10-16(20)18-15-6-4-3-5-14(15)11-19/h7,9,14-15,19H,3-6,8,10-11H2,1-2H3,(H,18,20)/b12-7+,13-9+.
What are the key properties of (4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide?
(4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide has a molecular weight of 283.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-7-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-4-methylocta-4,6-dienamide is sourced from PubChem (CID 89049865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).