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

C13H21F3O2 — CID 23405320

IUPAC4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane
SMILESC=CC1CCC(OC(C)OCC)(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3O2/c1-4-11-6-8-12(9-7-11,13(14,15)16)18-10(3)17-5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyMPNPIIQOBGUAFS-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.06
Rot. Bonds5

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

4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane (PubChem CID 23405320) has the molecular formula C13H21F3O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane
PubChem CID23405320
Molecular FormulaC13H21F3O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane
SMILESC=CC1CCC(OC(C)OCC)(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3O2/c1-4-11-6-8-12(9-7-11,13(14,15)16)18-10(3)17-5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyMPNPIIQOBGUAFS-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane (CID 23405320) is 4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane is C=CC1CCC(OC(C)OCC)(C(F)(F)F)CC1.
What is the InChIKey of 4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane?
The InChIKey is MPNPIIQOBGUAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O2/c1-4-11-6-8-12(9-7-11,13(14,15)16)18-10(3)17-5-2/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of 4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane?
4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane has a molecular weight of 266.30 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(1-ethoxyethoxy)-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 23405320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).