2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane

C8H13F3O — CID 59010012

IUPAC2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane
SMILESCC(C)(C)CC1(C(F)(F)F)CO1
InChIInChI=1S/C8H13F3O/c1-6(2,3)4-7(5-12-7)8(9,10)11/h4-5H2,1-3H3
InChIKeyCWUCIUMPNKXKLC-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.75
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane

2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane (PubChem CID 59010012) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane
PubChem CID59010012
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane
SMILESCC(C)(C)CC1(C(F)(F)F)CO1
InChIInChI=1S/C8H13F3O/c1-6(2,3)4-7(5-12-7)8(9,10)11/h4-5H2,1-3H3
InChIKeyCWUCIUMPNKXKLC-UHFFFAOYSA-N
XLogP2.75
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.75
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-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane (CID 59010012) is 2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane is CC(C)(C)CC1(C(F)(F)F)CO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane?
The InChIKey is CWUCIUMPNKXKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-6(2,3)4-7(5-12-7)8(9,10)11/h4-5H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane?
2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane has a molecular weight of 182.18 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 59010012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).