2-methyl-2-(2,2,2-trifluoroethyl)oxirane

C5H7F3O — CID 14985017

IUPAC2-methyl-2-(2,2,2-trifluoroethyl)oxirane
SMILESCC1(CC(F)(F)F)CO1
InChIInChI=1S/C5H7F3O/c1-4(3-9-4)2-5(6,7)8/h2-3H2,1H3
InChIKeyYXAPBJCWVCBKBI-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.73
Rot. Bonds1

About 2-methyl-2-(2,2,2-trifluoroethyl)oxirane

2-methyl-2-(2,2,2-trifluoroethyl)oxirane (PubChem CID 14985017) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethyl)oxirane
PubChem CID14985017
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name2-methyl-2-(2,2,2-trifluoroethyl)oxirane
SMILESCC1(CC(F)(F)F)CO1
InChIInChI=1S/C5H7F3O/c1-4(3-9-4)2-5(6,7)8/h2-3H2,1H3
InChIKeyYXAPBJCWVCBKBI-UHFFFAOYSA-N
XLogP1.73
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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
2-(Propan-2-yl)-2-(trifluoromethyl)oxirane
CID 138040452
(2S)-2-methyl-2-(trifluoromethyl)oxirane
CID 11815866
2-Methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane
CID 12561589
3-(Difluoromethyl)-2,2-dimethyloxirane
CID 162535829
2,2-Bis(1-fluoroethyl)oxirane
CID 18512428
2-Pentafluoroethyl-2-trifluoromethyloxirane
CID 85990121
(R)-2-methyl-2-(trifluoromethyl)oxirane
CID 86702279
2,3-Dimethyl-2-(trifluoromethyl)oxirane
CID 88891758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethyl)oxirane?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethyl)oxirane (CID 14985017) is 2-methyl-2-(2,2,2-trifluoroethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethyl)oxirane?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethyl)oxirane is CC1(CC(F)(F)F)CO1.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethyl)oxirane?
The InChIKey is YXAPBJCWVCBKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-4(3-9-4)2-5(6,7)8/h2-3H2,1H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethyl)oxirane?
2-methyl-2-(2,2,2-trifluoroethyl)oxirane has a molecular weight of 140.10 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethyl)oxirane is sourced from PubChem (CID 14985017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).