2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane

C10H9F3O — CID 139822692

IUPAC2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane
SMILESCc1ccc(C2CO2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3O/c1-6-2-3-7(9-5-14-9)4-8(6)10(11,12)13/h2-4,9H,5H2,1H3
InChIKeyKAGUVSLJCBRLNZ-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.09
Rot. Bonds1

About 2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane

2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane (PubChem CID 139822692) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane.

Molecular Properties

Compound Name2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane
PubChem CID139822692
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane
SMILESCc1ccc(C2CO2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3O/c1-6-2-3-7(9-5-14-9)4-8(6)10(11,12)13/h2-4,9H,5H2,1H3
InChIKeyKAGUVSLJCBRLNZ-UHFFFAOYSA-N
XLogP3.09
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.09
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-[4-methyl-3-(trifluoromethyl)phenyl]oxirane?
The IUPAC name of 2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane (CID 139822692) is 2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane.
What is the SMILES notation for 2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane?
The canonical SMILES for 2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane is Cc1ccc(C2CO2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane?
The InChIKey is KAGUVSLJCBRLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-6-2-3-7(9-5-14-9)4-8(6)10(11,12)13/h2-4,9H,5H2,1H3.
What are the key properties of 2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane?
2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane has a molecular weight of 202.17 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane is sourced from PubChem (CID 139822692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).