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

C9H13F3O2 — CID 118366658

IUPAC(4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
SMILESCO/C=C1\CCOC(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/b7-6+
InChIKeyUMBXSOIAFHMUGV-VOTSOKGWSA-N
MW210.19 g/mol
LogP2.65
Rot. Bonds2

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

(4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane (PubChem CID 118366658) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is (4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane.

Molecular Properties

Compound Name(4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
PubChem CID118366658
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name(4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
SMILESCO/C=C1\CCOC(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/b7-6+
InChIKeyUMBXSOIAFHMUGV-VOTSOKGWSA-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 (4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
The IUPAC name of (4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane (CID 118366658) is (4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane.
What is the SMILES notation for (4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
The canonical SMILES for (4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane is CO/C=C1\CCOC(CC(F)(F)F)C1.
What is the InChIKey of (4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
The InChIKey is UMBXSOIAFHMUGV-VOTSOKGWSA-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/b7-6+.
What are the key properties of (4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
(4E)-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 (4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane is sourced from PubChem (CID 118366658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).