1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane

C10H15F3O2 — CID 91179780

IUPAC1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane
SMILESC=C1CC(OCC(F)(F)F)CCC1OC
InChIInChI=1S/C10H15F3O2/c1-7-5-8(3-4-9(7)14-2)15-6-10(11,12)13/h8-9H,1,3-6H2,2H3
InChIKeyRBMUTLGWQXBMOM-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.69
Rot. Bonds3

About 1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane

1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane (PubChem CID 91179780) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane.

Molecular Properties

Compound Name1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane
PubChem CID91179780
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane
SMILESC=C1CC(OCC(F)(F)F)CCC1OC
InChIInChI=1S/C10H15F3O2/c1-7-5-8(3-4-9(7)14-2)15-6-10(11,12)13/h8-9H,1,3-6H2,2H3
InChIKeyRBMUTLGWQXBMOM-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane?
The IUPAC name of 1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane (CID 91179780) is 1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane.
What is the SMILES notation for 1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane?
The canonical SMILES for 1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane is C=C1CC(OCC(F)(F)F)CCC1OC.
What is the InChIKey of 1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane?
The InChIKey is RBMUTLGWQXBMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-7-5-8(3-4-9(7)14-2)15-6-10(11,12)13/h8-9H,1,3-6H2,2H3.
What are the key properties of 1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane?
1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane has a molecular weight of 224.22 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane is sourced from PubChem (CID 91179780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).