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

C10H9F3O — CID 16735287

IUPAC2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane
SMILESCC1(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C10H9F3O/c1-9(6-14-9)7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
InChIKeyNDMMVAQVPQYQDY-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.95
Rot. Bonds1

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

2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane (PubChem CID 16735287) has the molecular formula C10H9F3O and a molecular weight of 202.18 g/mol. Its IUPAC name is 2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane
PubChem CID16735287
Molecular FormulaC10H9F3O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane
SMILESCC1(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C10H9F3O/c1-9(6-14-9)7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
InChIKeyNDMMVAQVPQYQDY-UHFFFAOYSA-N
XLogP2.95
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.95
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-methyl-2-[4-(trifluoromethyl)phenyl]oxirane?
The IUPAC name of 2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane (CID 16735287) is 2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane.
What is the SMILES notation for 2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane?
The canonical SMILES for 2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane is CC1(c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of 2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane?
The InChIKey is NDMMVAQVPQYQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-9(6-14-9)7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane?
2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane has a molecular weight of 202.18 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane is sourced from PubChem (CID 16735287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).