3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene

C14H19F3O — CID 86077592

IUPAC3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene
SMILESFC(F)(F)C(OC1C=CCCC1)C1C=CCCC1
InChIInChI=1S/C14H19F3O/c15-14(16,17)13(11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h3,5,7,9,11-13H,1-2,4,6,8,10H2
InChIKeyQQMGQTMQLWENHX-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.40
Rot. Bonds3

About 3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene

3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene (PubChem CID 86077592) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene.

Molecular Properties

Compound Name3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene
PubChem CID86077592
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene
SMILESFC(F)(F)C(OC1C=CCCC1)C1C=CCCC1
InChIInChI=1S/C14H19F3O/c15-14(16,17)13(11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h3,5,7,9,11-13H,1-2,4,6,8,10H2
InChIKeyQQMGQTMQLWENHX-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.40
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 3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene?
The IUPAC name of 3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene (CID 86077592) is 3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene.
What is the SMILES notation for 3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene?
The canonical SMILES for 3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene is FC(F)(F)C(OC1C=CCCC1)C1C=CCCC1.
What is the InChIKey of 3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene?
The InChIKey is QQMGQTMQLWENHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c15-14(16,17)13(11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h3,5,7,9,11-13H,1-2,4,6,8,10H2.
What are the key properties of 3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene?
3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene has a molecular weight of 260.30 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene is sourced from PubChem (CID 86077592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).