2-methoxy-3-(2,2,2-trifluoroethyl)oxirane

C5H7F3O2 — CID 139912968

IUPAC2-methoxy-3-(2,2,2-trifluoroethyl)oxirane
SMILESCOC1OC1CC(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-9-4-3(10-4)2-5(6,7)8/h3-4H,2H2,1H3
InChIKeyVAXGTWQACCIJJA-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.31
Rot. Bonds2

About 2-methoxy-3-(2,2,2-trifluoroethyl)oxirane

2-methoxy-3-(2,2,2-trifluoroethyl)oxirane (PubChem CID 139912968) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 2-methoxy-3-(2,2,2-trifluoroethyl)oxirane.

Molecular Properties

Compound Name2-methoxy-3-(2,2,2-trifluoroethyl)oxirane
PubChem CID139912968
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name2-methoxy-3-(2,2,2-trifluoroethyl)oxirane
SMILESCOC1OC1CC(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-9-4-3(10-4)2-5(6,7)8/h3-4H,2H2,1H3
InChIKeyVAXGTWQACCIJJA-UHFFFAOYSA-N
XLogP1.31
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane
CID 159771224
2-(ethoxymethyl)-3-methoxyoxirane
CID 140519592
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
CID 58241382
(2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane
CID 14374457
(2S,3S,4S,5S)-2-((18F)fluoromethyl)-6-methoxyoxane-3,4,5-triol
CID 15949247
bis(2,2,2-trifluoroethyl) 2-[[(3S,4S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanedioate
CID 88936700
(2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 15949243
(3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
CID 158893262
(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
CID 122450252
[(1R,2R,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 11147798
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2,2,2-trifluoroethyl)oxirane?
The IUPAC name of 2-methoxy-3-(2,2,2-trifluoroethyl)oxirane (CID 139912968) is 2-methoxy-3-(2,2,2-trifluoroethyl)oxirane.
What is the SMILES notation for 2-methoxy-3-(2,2,2-trifluoroethyl)oxirane?
The canonical SMILES for 2-methoxy-3-(2,2,2-trifluoroethyl)oxirane is COC1OC1CC(F)(F)F.
What is the InChIKey of 2-methoxy-3-(2,2,2-trifluoroethyl)oxirane?
The InChIKey is VAXGTWQACCIJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c1-9-4-3(10-4)2-5(6,7)8/h3-4H,2H2,1H3.
What are the key properties of 2-methoxy-3-(2,2,2-trifluoroethyl)oxirane?
2-methoxy-3-(2,2,2-trifluoroethyl)oxirane has a molecular weight of 156.10 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2,2,2-trifluoroethyl)oxirane is sourced from PubChem (CID 139912968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).