4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane

C9H13F3O2 — CID 123552892

IUPAC4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
SMILESCOC=C1CCOC(CC(F)(F)F)C1
InChIInChI=1S/C9H13F3O2/c1-13-6-7-2-3-14-8(4-7)5-9(10,11)12/h6,8H,2-5H2,1H3
InChIKeyUMBXSOIAFHMUGV-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.65
Rot. Bonds2

About 4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane

4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane (PubChem CID 123552892) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane.

Molecular Properties

Compound Name4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
PubChem CID123552892
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
SMILESCOC=C1CCOC(CC(F)(F)F)C1
InChIInChI=1S/C9H13F3O2/c1-13-6-7-2-3-14-8(4-7)5-9(10,11)12/h6,8H,2-5H2,1H3
InChIKeyUMBXSOIAFHMUGV-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.65
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 4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
The IUPAC name of 4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane (CID 123552892) is 4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane.
What is the SMILES notation for 4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
The canonical SMILES for 4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane is COC=C1CCOC(CC(F)(F)F)C1.
What is the InChIKey of 4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
The InChIKey is UMBXSOIAFHMUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-13-6-7-2-3-14-8(4-7)5-9(10,11)12/h6,8H,2-5H2,1H3.
What are the key properties of 4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane has a molecular weight of 210.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane is sourced from PubChem (CID 123552892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).