2-propan-2-yl-2-(trifluoromethyl)oxirane

C6H9F3O — CID 138040452

IUPAC2-propan-2-yl-2-(trifluoromethyl)oxirane
SMILESCC(C)C1(C(F)(F)F)CO1
InChIInChI=1S/C6H9F3O/c1-4(2)5(3-10-5)6(7,8)9/h4H,3H2,1-2H3
InChIKeyNWRFICVUSQPYMX-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.97
Rot. Bonds1

About 2-propan-2-yl-2-(trifluoromethyl)oxirane

2-propan-2-yl-2-(trifluoromethyl)oxirane (PubChem CID 138040452) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-propan-2-yl-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-propan-2-yl-2-(trifluoromethyl)oxirane
PubChem CID138040452
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-propan-2-yl-2-(trifluoromethyl)oxirane
SMILESCC(C)C1(C(F)(F)F)CO1
InChIInChI=1S/C6H9F3O/c1-4(2)5(3-10-5)6(7,8)9/h4H,3H2,1-2H3
InChIKeyNWRFICVUSQPYMX-UHFFFAOYSA-N
XLogP1.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.97
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-Isopropyl-2-methyloxirane
CID 522448
2-Methyl-2-(pentafluoroethyl)oxirane
CID 88673440
2-Ethyl-2-(trifluoromethyl)oxirane
CID 23233498
2-Methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane
CID 12561589
2-Methyl-2-(2,2,2-trifluoroethyl)oxirane
CID 14985017
(2R)-1-(difluoromethoxy)-2,3-dimethylbutane
CID 87420391
1-(Difluoromethoxy)-2,3-dimethylbutane
CID 87431398
2-(Difluoromethoxy)-2,3-dimethylbutane
CID 89703128
1,1,1-Trifluoro-2-methoxy-2,3-dimethylbutane
CID 89909550
2-(1,1,1-Trifluoropropan-2-yl)oxirane
CID 90191541
2-Ethyl-2-(fluoromethyl)oxirane
CID 126514113
(2R)-1,1,1-trifluoro-2-(methoxymethyl)-3-methylbutane
CID 130355336

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-propan-2-yl-2-(trifluoromethyl)oxirane (CID 138040452) is 2-propan-2-yl-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-propan-2-yl-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-propan-2-yl-2-(trifluoromethyl)oxirane is CC(C)C1(C(F)(F)F)CO1.
What is the InChIKey of 2-propan-2-yl-2-(trifluoromethyl)oxirane?
The InChIKey is NWRFICVUSQPYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-4(2)5(3-10-5)6(7,8)9/h4H,3H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-(trifluoromethyl)oxirane?
2-propan-2-yl-2-(trifluoromethyl)oxirane has a molecular weight of 154.13 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 138040452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).