(2S)-2-methyl-2-(trifluoromethyl)oxirane

C4H5F3O — CID 11815866

IUPAC(2S)-2-methyl-2-(trifluoromethyl)oxirane
SMILESC[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C4H5F3O/c1-3(2-8-3)4(5,6)7/h2H2,1H3/t3-/m0/s1
InChIKeyGHTAXYFAHGPYPG-VKHMYHEASA-N
MW126.08 g/mol
LogP1.34
Rot. Bonds

About (2S)-2-methyl-2-(trifluoromethyl)oxirane

(2S)-2-methyl-2-(trifluoromethyl)oxirane (PubChem CID 11815866) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is (2S)-2-methyl-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-methyl-2-(trifluoromethyl)oxirane
PubChem CID11815866
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name(2S)-2-methyl-2-(trifluoromethyl)oxirane
SMILESC[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C4H5F3O/c1-3(2-8-3)4(5,6)7/h2H2,1H3/t3-/m0/s1
InChIKeyGHTAXYFAHGPYPG-VKHMYHEASA-N
XLogP1.34
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.34
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
2,2-Bis(trifluoromethyl)oxirane
CID 11469419
2-Ethyl-2-(trifluoromethyl)oxirane
CID 23233498
2-(Bromodifluoromethyl)-2-methyloxirane
CID 132351168
2-Methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane
CID 12561589
2-(Difluoromethyl)-2-(trifluoromethyl)oxirane
CID 23264240
3-(Difluoromethyl)-2,2-dimethyloxirane
CID 162535829
2,2-Difluoro-3,3-dimethyloxirane
CID 5743226
2-Methyl-2-(2,2,2-trifluoroethyl)oxirane
CID 14985017
2-(Fluoromethyl)-2-methyloxirane
CID 19806445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(trifluoromethyl)oxirane?
The IUPAC name of (2S)-2-methyl-2-(trifluoromethyl)oxirane (CID 11815866) is (2S)-2-methyl-2-(trifluoromethyl)oxirane.
What is the SMILES notation for (2S)-2-methyl-2-(trifluoromethyl)oxirane?
The canonical SMILES for (2S)-2-methyl-2-(trifluoromethyl)oxirane is C[C@@]1(C(F)(F)F)CO1.
What is the InChIKey of (2S)-2-methyl-2-(trifluoromethyl)oxirane?
The InChIKey is GHTAXYFAHGPYPG-VKHMYHEASA-N. The full InChI is InChI=1S/C4H5F3O/c1-3(2-8-3)4(5,6)7/h2H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-2-methyl-2-(trifluoromethyl)oxirane?
(2S)-2-methyl-2-(trifluoromethyl)oxirane has a molecular weight of 126.08 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 11815866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).