2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane

C6H5F7O — CID 87247398

IUPAC2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCCC1(C(F)(F)C(F)(F)F)OC1(F)F
InChIInChI=1S/C6H5F7O/c1-2-3(6(12,13)14-3)4(7,8)5(9,10)11/h2H2,1H3
InChIKeyVQFSRYWXFJJCFO-UHFFFAOYSA-N
MW226.09 g/mol
LogP2.96
Rot. Bonds2

About 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane

2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane (PubChem CID 87247398) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane.

Molecular Properties

Compound Name2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane
PubChem CID87247398
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCCC1(C(F)(F)C(F)(F)F)OC1(F)F
InChIInChI=1S/C6H5F7O/c1-2-3(6(12,13)14-3)4(7,8)5(9,10)11/h2H2,1H3
InChIKeyVQFSRYWXFJJCFO-UHFFFAOYSA-N
XLogP2.96
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 52.96
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'}

Analyze 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2-(pentafluoroethyl)oxirane
CID 88673440
2-Methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane
CID 12561589
2-Fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
CID 19067258
1,1,1,2,2,4,4,5,5,5-Decafluoro-3-methoxy-3-methylpentane
CID 57831803
1,1,1,2,2,3,4,5,5-Nonafluoro-4-methoxy-3-(trifluoromethyl)pentane
CID 150078902
2-Fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane
CID 166817908
2-Ethyl-2,3-bis(trifluoromethyl)oxirane
CID 150087906
2-Ethyl-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxirane
CID 150195721
2,3-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 151056856
2-Fluoro-3,3-dimethyl-2-(trifluoromethyl)oxirane
CID 160792694
2-Fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 160792695
1,1,1-Trifluoro-3-methyl-3-(trifluoromethoxy)pentane
CID 162545991

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The IUPAC name of 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane (CID 87247398) is 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane.
What is the SMILES notation for 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The canonical SMILES for 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane is CCC1(C(F)(F)C(F)(F)F)OC1(F)F.
What is the InChIKey of 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The InChIKey is VQFSRYWXFJJCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c1-2-3(6(12,13)14-3)4(7,8)5(9,10)11/h2H2,1H3.
What are the key properties of 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane has a molecular weight of 226.09 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane is sourced from PubChem (CID 87247398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).