1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane

C12H19F3O2 — CID 20730497

IUPAC1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3O2/c1-2-16-7-10-3-5-11(6-4-10)8-17-9-12(13,14)15/h2,10-11H,1,3-9H2
InChIKeyLJSSFJFBHCYFMD-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.53
Rot. Bonds6

About 1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane

1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane (PubChem CID 20730497) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
PubChem CID20730497
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3O2/c1-2-16-7-10-3-5-11(6-4-10)8-17-9-12(13,14)15/h2,10-11H,1,3-9H2
InChIKeyLJSSFJFBHCYFMD-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane (CID 20730497) is 1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane is C=COCC1CCC(COCC(F)(F)F)CC1.
What is the InChIKey of 1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane?
The InChIKey is LJSSFJFBHCYFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-2-16-7-10-3-5-11(6-4-10)8-17-9-12(13,14)15/h2,10-11H,1,3-9H2.
What are the key properties of 1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane?
1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane has a molecular weight of 252.28 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane is sourced from PubChem (CID 20730497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).