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

C12H19F3O2 — CID 23405324

IUPAC4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane
SMILESC=CC1CCC(OC(C)OC)(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3O2/c1-4-10-5-7-11(8-6-10,12(13,14)15)17-9(2)16-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyMNPFLMMPLULOLT-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.67
Rot. Bonds4

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

4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane (PubChem CID 23405324) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane
PubChem CID23405324
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane
SMILESC=CC1CCC(OC(C)OC)(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3O2/c1-4-10-5-7-11(8-6-10,12(13,14)15)17-9(2)16-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyMNPFLMMPLULOLT-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.67
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-propoxyethoxy)-1-(trifluoromethyl)cyclohexane
CID 23405327
7-ethenyl-2,2-difluorospiro[3.5]nonane
CID 178020956
1-ethenyl-4-[1-(4-ethenylcyclohexyl)ethyl]cyclohexane
CID 153439228
3-[4-methoxy-4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 84736843
3,9-bis(ethenyl)-2,4-dioxaspiro[5.5]undecane
CID 66977326
4-ethenyl-1-methylpiperidine;hydrochloride
CID 173358659
4-ethenyl-1,1,2,2-tetramethylcyclopentane
CID 143472488
4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine
CID 170617106
1-(1-methoxy-4-methylcyclohexyl)but-3-en-1-ol
CID 116754516
1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 155953063
1-deuterio-1-propan-2-yl-4,4-bis(trifluoromethyl)cyclohexane
CID 171461386

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane (CID 23405324) is 4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane is C=CC1CCC(OC(C)OC)(C(F)(F)F)CC1.
What is the InChIKey of 4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane?
The InChIKey is MNPFLMMPLULOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-4-10-5-7-11(8-6-10,12(13,14)15)17-9(2)16-3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane?
4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane has a molecular weight of 252.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(1-methoxyethoxy)-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 23405324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).