[(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane

C16H27F3O — CID 163919147

IUPAC[(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane
SMILESC/C=C/C(CC(CCC)C(F)(F)F)OC1CCCCC1
InChIInChI=1S/C16H27F3O/c1-3-8-13(16(17,18)19)12-15(9-4-2)20-14-10-6-5-7-11-14/h4,9,13-15H,3,5-8,10-12H2,1-2H3/b9-4+
InChIKeyQYWVZAUCPWRXBU-RUDMXATFSA-N
MW292.38 g/mol
LogP5.65
Rot. Bonds7

About [(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane

[(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane (PubChem CID 163919147) has the molecular formula C16H27F3O and a molecular weight of 292.38 g/mol. Its IUPAC name is [(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane.

Molecular Properties

Compound Name[(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane
PubChem CID163919147
Molecular FormulaC16H27F3O
Molecular Weight292.38 g/mol
Exact Mass292.20
IUPAC Name[(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane
SMILESC/C=C/C(CC(CCC)C(F)(F)F)OC1CCCCC1
InChIInChI=1S/C16H27F3O/c1-3-8-13(16(17,18)19)12-15(9-4-2)20-14-10-6-5-7-11-14/h4,9,13-15H,3,5-8,10-12H2,1-2H3/b9-4+
InChIKeyQYWVZAUCPWRXBU-RUDMXATFSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane?
The IUPAC name of [(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane (CID 163919147) is [(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane.
What is the SMILES notation for [(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane?
The canonical SMILES for [(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane is C/C=C/C(CC(CCC)C(F)(F)F)OC1CCCCC1.
What is the InChIKey of [(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane?
The InChIKey is QYWVZAUCPWRXBU-RUDMXATFSA-N. The full InChI is InChI=1S/C16H27F3O/c1-3-8-13(16(17,18)19)12-15(9-4-2)20-14-10-6-5-7-11-14/h4,9,13-15H,3,5-8,10-12H2,1-2H3/b9-4+.
What are the key properties of [(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane?
[(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane has a molecular weight of 292.38 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane is sourced from PubChem (CID 163919147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).