3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene

C11H15F3O — CID 86077588

IUPAC3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene
SMILESC=CCOC(C1C=CCCC1)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-2-8-15-10(11(12,13)14)9-6-4-3-5-7-9/h2,4,6,9-10H,1,3,5,7-8H2
InChIKeyZWHMCQWVAYEILT-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.48
Rot. Bonds4

About 3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene

3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene (PubChem CID 86077588) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene.

Molecular Properties

Compound Name3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene
PubChem CID86077588
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene
SMILESC=CCOC(C1C=CCCC1)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-2-8-15-10(11(12,13)14)9-6-4-3-5-7-9/h2,4,6,9-10H,1,3,5,7-8H2
InChIKeyZWHMCQWVAYEILT-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene
CID 86077592
3-(1-But-2-ynoxy-2,2,2-trifluoroethyl)cyclohexene
CID 86077598
4-Trifluoroethoxy-2-bicyclo[3.1.0]hexene
CID 129694105
5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane
CID 20599859
2,3-Difluoro-1-methyl-4-pent-2-enoxycyclohexane
CID 71099919
5-(2,2-Difluoroethenyl)-2-[2-(4-prop-1-enylcyclohexyl)ethenyl]oxane
CID 73690116
3-Ethyl-4-fluoro-6-methoxycyclohexene
CID 123401205
1-(3,3-Difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane
CID 140517607
1-Methyl-4-[4-(trifluoromethyl)cyclopent-2-en-1-yl]oxycyclohexane
CID 141835969
3-Methyl-6-[4-(trifluoromethyl)cyclohexyl]oxycyclohexene
CID 141835973
3-Methyl-6-[4-(trifluoromethyl)cyclohex-2-en-1-yl]oxycyclohexene
CID 141835979
(3R,4S)-6-(1,1-difluoroethoxy)-4-methyl-3-(2-methylpropyl)cyclohexene
CID 163744956

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene?
The IUPAC name of 3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene (CID 86077588) is 3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene.
What is the SMILES notation for 3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene?
The canonical SMILES for 3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene is C=CCOC(C1C=CCCC1)C(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene?
The InChIKey is ZWHMCQWVAYEILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-2-8-15-10(11(12,13)14)9-6-4-3-5-7-9/h2,4,6,9-10H,1,3,5,7-8H2.
What are the key properties of 3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene?
3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene has a molecular weight of 220.23 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoro-1-prop-2-enoxyethyl)cyclohexene is sourced from PubChem (CID 86077588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).