2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane

C11H11F3O — CID 54311363

IUPAC2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane
SMILESFC(F)(F)c1cccc(CCC2CO2)c1
InChIInChI=1S/C11H11F3O/c12-11(13,14)9-3-1-2-8(6-9)4-5-10-7-15-10/h1-3,6,10H,4-5,7H2
InChIKeySLCUSUWLCJBMDA-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.04
Rot. Bonds3

About 2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane

2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane (PubChem CID 54311363) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane
PubChem CID54311363
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane
SMILESFC(F)(F)c1cccc(CCC2CO2)c1
InChIInChI=1S/C11H11F3O/c12-11(13,14)9-3-1-2-8(6-9)4-5-10-7-15-10/h1-3,6,10H,4-5,7H2
InChIKeySLCUSUWLCJBMDA-UHFFFAOYSA-N
XLogP3.04
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane?
The IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane (CID 54311363) is 2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane is FC(F)(F)c1cccc(CCC2CO2)c1.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane?
The InChIKey is SLCUSUWLCJBMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c12-11(13,14)9-3-1-2-8(6-9)4-5-10-7-15-10/h1-3,6,10H,4-5,7H2.
What are the key properties of 2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane?
2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane has a molecular weight of 216.20 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethyl)phenyl]ethyl]oxirane is sourced from PubChem (CID 54311363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).