2-[4-(trifluoromethoxy)phenyl]oxirane

C9H7F3O2 — CID 12044195

IUPAC2-[4-(trifluoromethoxy)phenyl]oxirane
SMILESFC(F)(F)Oc1ccc(C2CO2)cc1
InChIInChI=1S/C9H7F3O2/c10-9(11,12)14-7-3-1-6(2-4-7)8-5-13-8/h1-4,8H,5H2
InChIKeyNUVYGKYZDJEFEQ-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.66
Rot. Bonds2

About 2-[4-(trifluoromethoxy)phenyl]oxirane

2-[4-(trifluoromethoxy)phenyl]oxirane (PubChem CID 12044195) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]oxirane.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]oxirane
PubChem CID12044195
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2-[4-(trifluoromethoxy)phenyl]oxirane
SMILESFC(F)(F)Oc1ccc(C2CO2)cc1
InChIInChI=1S/C9H7F3O2/c10-9(11,12)14-7-3-1-6(2-4-7)8-5-13-8/h1-4,8H,5H2
InChIKeyNUVYGKYZDJEFEQ-UHFFFAOYSA-N
XLogP2.66
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]oxirane?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]oxirane (CID 12044195) is 2-[4-(trifluoromethoxy)phenyl]oxirane.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]oxirane?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]oxirane is FC(F)(F)Oc1ccc(C2CO2)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]oxirane?
The InChIKey is NUVYGKYZDJEFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c10-9(11,12)14-7-3-1-6(2-4-7)8-5-13-8/h1-4,8H,5H2.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]oxirane?
2-[4-(trifluoromethoxy)phenyl]oxirane has a molecular weight of 204.15 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-[4-(trifluoromethoxy)phenyl]oxirane is sourced from PubChem (CID 12044195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).