4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane

C14H23F3O2 — CID 23405327

IUPAC4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane
SMILESC=CC1CCC(OC(C)OCCC)(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3O2/c1-4-10-18-11(3)19-13(14(15,16)17)8-6-12(5-2)7-9-13/h5,11-12H,2,4,6-10H2,1,3H3
InChIKeyOYPYRBNXXFOZKQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.45
Rot. Bonds6

About 4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane

4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane (PubChem CID 23405327) has the molecular formula C14H23F3O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane
PubChem CID23405327
Molecular FormulaC14H23F3O2
Molecular Weight280.33 g/mol
Exact Mass280.17
IUPAC Name4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane
SMILESC=CC1CCC(OC(C)OCCC)(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3O2/c1-4-10-18-11(3)19-13(14(15,16)17)8-6-12(5-2)7-9-13/h5,11-12H,2,4,6-10H2,1,3H3
InChIKeyOYPYRBNXXFOZKQ-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane
CID 23405320
4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane
CID 23405324
2-[4-[4-[4-(1-butoxyethoxy)-4-(trifluoromethyl)cyclohexyl]hexan-2-yl]-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23405403
1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
CID 91361324
7-ethenyl-2,2-difluorospiro[3.5]nonane
CID 178020956
1-(1-propoxyethoxy)hex-3-ene
CID 3022828
2-methyl-3-(1-propoxyethoxy)prop-1-ene
CID 173289997
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
3,9-bis(ethenyl)-2,4-dioxaspiro[5.5]undecane
CID 66977326
1-(2-iodo-1-prop-2-enoxyethoxy)propane
CID 10492234
1,1,1-trifluoro-3-propoxy-2,2-bis(trifluoromethyl)butane
CID 163452103
1-propoxyethylcyclopentane
CID 159612357

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane (CID 23405327) is 4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane is C=CC1CCC(OC(C)OCCC)(C(F)(F)F)CC1.
What is the InChIKey of 4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane?
The InChIKey is OYPYRBNXXFOZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2/c1-4-10-18-11(3)19-13(14(15,16)17)8-6-12(5-2)7-9-13/h5,11-12H,2,4,6-10H2,1,3H3.
What are the key properties of 4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane?
4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane has a molecular weight of 280.33 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(1-propoxyethoxy)-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 23405327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).