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

C5H5F5O — CID 88673440

IUPAC2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCC1(C(F)(F)C(F)(F)F)CO1
InChIInChI=1S/C5H5F5O/c1-3(2-11-3)4(6,7)5(8,9)10/h2H2,1H3
InChIKeyIAQAMAMRICGFFH-UHFFFAOYSA-N
MW176.08 g/mol
LogP1.97
Rot. Bonds1

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

2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane (PubChem CID 88673440) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is 2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
PubChem CID88673440
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCC1(C(F)(F)C(F)(F)F)CO1
InChIInChI=1S/C5H5F5O/c1-3(2-11-3)4(6,7)5(8,9)10/h2H2,1H3
InChIKeyIAQAMAMRICGFFH-UHFFFAOYSA-N
XLogP1.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 51.97
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-(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
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-(1,1,2,2,2-pentafluoroethyl)oxirane?
The IUPAC name of 2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane (CID 88673440) is 2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The canonical SMILES for 2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane is CC1(C(F)(F)C(F)(F)F)CO1.
What is the InChIKey of 2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The InChIKey is IAQAMAMRICGFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O/c1-3(2-11-3)4(6,7)5(8,9)10/h2H2,1H3.
What are the key properties of 2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane has a molecular weight of 176.08 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-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane is sourced from PubChem (CID 88673440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).