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

C9H13F3O2 — CID 125486221

IUPAC(2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
SMILESCO/C=C1\CCO[C@@H](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+/t8-/m1/s1
InChIKeyUMBXSOIAFHMUGV-HYDMIIDASA-N
MW210.19 g/mol
LogP2.65
Rot. Bonds2

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

(2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane (PubChem CID 125486221) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane.

Molecular Properties

Compound Name(2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
PubChem CID125486221
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name(2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
SMILESCO/C=C1\CCO[C@@H](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+/t8-/m1/s1
InChIKeyUMBXSOIAFHMUGV-HYDMIIDASA-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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Related Compounds

(4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 118366658
(4Z)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 118373698
4-(Methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 123552892
(2R)-5,5-difluoro-2-prop-1-en-2-yloxane
CID 146433106
(2S,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 125486220
3-(3,4-dihydro-2H-pyran-5-yl)-1,1,1-trifluoropropan-2-ol
CID 165753233
(2S,4Z)-4-(methoxymethylidene)-2-methyloxane
CID 57935993
4-(Methoxymethylidene)-2,6-dimethyloxane
CID 58424345
(2R,6S)-4-(methoxymethylene)-2,6-dimethyltetrahydro-2H-pyran
CID 66936926
4-(Methoxymethylidene)-2-methyloxane
CID 76652065
(2S)-4-(methoxymethylidene)-2-methyloxane
CID 91203239
(4E)-4-(methoxymethylidene)-2-methyloxane
CID 176365109

Frequently Asked Questions

What is the IUPAC name of (2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
The IUPAC name of (2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane (CID 125486221) is (2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane.
What is the SMILES notation for (2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
The canonical SMILES for (2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane is CO/C=C1\CCO[C@@H](CC(F)(F)F)C1.
What is the InChIKey of (2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
The InChIKey is UMBXSOIAFHMUGV-HYDMIIDASA-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+/t8-/m1/s1.
What are the key properties of (2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane?
(2R,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 (2R,4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane is sourced from PubChem (CID 125486221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).