2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane

C5H6F4O — CID 12561589

IUPAC2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane
SMILESCC1(C(F)(F)C(F)F)CO1
InChIInChI=1S/C5H6F4O/c1-4(2-10-4)5(8,9)3(6)7/h3H,2H2,1H3
InChIKeyOPZFFUHEGLKJLN-UHFFFAOYSA-N
MW158.09 g/mol
LogP1.68
Rot. Bonds2

About 2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane

2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane (PubChem CID 12561589) has the molecular formula C5H6F4O and a molecular weight of 158.09 g/mol. Its IUPAC name is 2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane
PubChem CID12561589
Molecular FormulaC5H6F4O
Molecular Weight158.09 g/mol
Exact Mass158.04
IUPAC Name2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane
SMILESCC1(C(F)(F)C(F)F)CO1
InChIInChI=1S/C5H6F4O/c1-4(2-10-4)5(8,9)3(6)7/h3H,2H2,1H3
InChIKeyOPZFFUHEGLKJLN-UHFFFAOYSA-N
XLogP1.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'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-(2,2,2-trifluoroethyl)oxirane
CID 14985017
2-Pentafluoroethyl-2-trifluoromethyloxirane
CID 85990121
(R)-2-methyl-2-(trifluoromethyl)oxirane
CID 86702279
2-Ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 87247398
2,3-Dimethyl-2-(trifluoromethyl)oxirane
CID 88891758
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)oxirane
CID 88924913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane?
The IUPAC name of 2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane (CID 12561589) is 2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane?
The canonical SMILES for 2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane is CC1(C(F)(F)C(F)F)CO1.
What is the InChIKey of 2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane?
The InChIKey is OPZFFUHEGLKJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O/c1-4(2-10-4)5(8,9)3(6)7/h3H,2H2,1H3.
What are the key properties of 2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane?
2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane has a molecular weight of 158.09 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane is sourced from PubChem (CID 12561589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).