2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane

C10H9F3O2 — CID 12619670

IUPAC2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane
SMILESFC(F)(F)c1ccccc1OCC1CO1
InChIInChI=1S/C10H9F3O2/c11-10(12,13)8-3-1-2-4-9(8)15-6-7-5-14-7/h1-4,7H,5-6H2
InChIKeyRKCRMVILALALDZ-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.48
Rot. Bonds3

About 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane

2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane (PubChem CID 12619670) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane
PubChem CID12619670
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane
SMILESFC(F)(F)c1ccccc1OCC1CO1
InChIInChI=1S/C10H9F3O2/c11-10(12,13)8-3-1-2-4-9(8)15-6-7-5-14-7/h1-4,7H,5-6H2
InChIKeyRKCRMVILALALDZ-UHFFFAOYSA-N
XLogP2.48
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.48
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

Mephenesin
CID 4059
Phenyl glycidyl ether
CID 31217
Cresyl glycidyl ether
CID 16606
o-CRESYL GLYCIDYL ETHER
CID 16640
2-(((1,1'-Biphenyl)-2-yloxy)methyl)oxirane
CID 97875
Benzopyran
CID 9211
2-Methoxybenzyl ethyl ether
CID 105179
2-(2-Methylphenoxy)ethanol
CID 22539
((p-(2-Methoxyethyl)phenoxy)methyl)oxirane
CID 92515
Allyl o-tolyl ether
CID 136749
((m-Tolyloxy)methyl)oxirane
CID 98180
((p-Nonylphenoxy)methyl)oxirane
CID 61374

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane (CID 12619670) is 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane is FC(F)(F)c1ccccc1OCC1CO1.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane?
The InChIKey is RKCRMVILALALDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-10(12,13)8-3-1-2-4-9(8)15-6-7-5-14-7/h1-4,7H,5-6H2.
What are the key properties of 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane?
2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane has a molecular weight of 218.17 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 12619670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).