2,3-dimethyl-2-(trifluoromethyl)oxirane

C5H7F3O — CID 88891758

IUPAC2,3-dimethyl-2-(trifluoromethyl)oxirane
SMILESCC1OC1(C)C(F)(F)F
InChIInChI=1S/C5H7F3O/c1-3-4(2,9-3)5(6,7)8/h3H,1-2H3
InChIKeyWVUMOIYWPVWMCD-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.73
Rot. Bonds

About 2,3-dimethyl-2-(trifluoromethyl)oxirane

2,3-dimethyl-2-(trifluoromethyl)oxirane (PubChem CID 88891758) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 2,3-dimethyl-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2,3-dimethyl-2-(trifluoromethyl)oxirane
PubChem CID88891758
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name2,3-dimethyl-2-(trifluoromethyl)oxirane
SMILESCC1OC1(C)C(F)(F)F
InChIInChI=1S/C5H7F3O/c1-3-4(2,9-3)5(6,7)8/h3H,1-2H3
InChIKeyWVUMOIYWPVWMCD-UHFFFAOYSA-N
XLogP1.73
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.73
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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Related Compounds

2-Methyl-2-(trifluoromethyl)oxirane
CID 13620760
2-Methyl-2-(pentafluoroethyl)oxirane
CID 88673440
2-(Difluoromethyl)-2-methyloxirane
CID 137838565
2-Ethyl-2-(trifluoromethyl)oxirane
CID 23233498
(2S)-2-methyl-2-(trifluoromethyl)oxirane
CID 11815866
1,1-Difluoro-2-(2-methylbutan-2-yloxy)cyclopropane
CID 45090819
2-Methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane
CID 12561589
3-(Difluoromethyl)-2,2-dimethyloxirane
CID 162535829
1,1,1-Trifluoro-2,3-epoxybutane
CID 2777109
2-Methyl-2-(2,2,2-trifluoroethyl)oxirane
CID 14985017
2-(Difluoromethyl)-3-methyloxirane
CID 15507744
1,1,1-Trifluoro-2-methyl-2-propan-2-yloxypropane
CID 20782610

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(trifluoromethyl)oxirane?
The IUPAC name of 2,3-dimethyl-2-(trifluoromethyl)oxirane (CID 88891758) is 2,3-dimethyl-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2,3-dimethyl-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2,3-dimethyl-2-(trifluoromethyl)oxirane is CC1OC1(C)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-2-(trifluoromethyl)oxirane?
The InChIKey is WVUMOIYWPVWMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-3-4(2,9-3)5(6,7)8/h3H,1-2H3.
What are the key properties of 2,3-dimethyl-2-(trifluoromethyl)oxirane?
2,3-dimethyl-2-(trifluoromethyl)oxirane has a molecular weight of 140.10 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 88891758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).