2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane

C10H9F3O2 — CID 10856934

IUPAC2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane
SMILESCOC1(C(F)(F)F)OC1c1ccccc1
InChIInChI=1S/C10H9F3O2/c1-14-9(10(11,12)13)8(15-9)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyVZCXWAPONDJLHY-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.66
Rot. Bonds2

About 2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane

2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane (PubChem CID 10856934) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane
PubChem CID10856934
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane
SMILESCOC1(C(F)(F)F)OC1c1ccccc1
InChIInChI=1S/C10H9F3O2/c1-14-9(10(11,12)13)8(15-9)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyVZCXWAPONDJLHY-UHFFFAOYSA-N
XLogP2.66
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.66
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

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CID 7276
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(+)-Styrene oxide
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Benzene, (1-ethoxyethyl)-
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(+)-Benzyl glycidyl ether
CID 146296
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
1,2-Ethanediol, 1-phenyl-, 1,2-diacetate
CID 95008
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-
CID 20371
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane (CID 10856934) is 2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane is COC1(C(F)(F)F)OC1c1ccccc1.
What is the InChIKey of 2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane?
The InChIKey is VZCXWAPONDJLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-14-9(10(11,12)13)8(15-9)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of 2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane?
2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane has a molecular weight of 218.17 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenyl-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 10856934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).