5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane

C9H10F8O — CID 58488791

IUPAC5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C9H10F8O/c1-3-6(12)4-7(13,5(2,10)11)18-8(6,14)9(15,16)17/h3-4H2,1-2H3
InChIKeyNMLAVJQAGKNFTK-UHFFFAOYSA-N
MW286.16 g/mol
LogP4.07
Rot. Bonds2

About 5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane

5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane (PubChem CID 58488791) has the molecular formula C9H10F8O and a molecular weight of 286.16 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane
PubChem CID58488791
Molecular FormulaC9H10F8O
Molecular Weight286.16 g/mol
Exact Mass286.06
IUPAC Name5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C9H10F8O/c1-3-6(12)4-7(13,5(2,10)11)18-8(6,14)9(15,16)17/h3-4H2,1-2H3
InChIKeyNMLAVJQAGKNFTK-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Butyl-2,2,3,4,4,5,5-heptafluorooxolane
CID 15788982
2,2,3,3,4,5,5,6-Octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane
CID 20591286
3-(1,1-Difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
CID 20700672
5-Ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane
CID 20725476
4,5-Bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
CID 20738948
5-(1,1-Difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane
CID 20793160
2,3-Diethyl-2,3,4,4,5,5-hexafluorooxolane
CID 20802273
2,3-Bis(1,1-difluoroethyl)-2,3,4,4,5,5-hexafluorooxolane
CID 20823501
2,4-Diethyl-2,3,3,4,5,5-hexafluorooxolane
CID 21397503
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane
CID 54203988
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane
CID 54203989
2-Ethyl-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane
CID 57549742

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane?
The IUPAC name of 5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane (CID 58488791) is 5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane.
What is the SMILES notation for 5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane?
The canonical SMILES for 5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane is CCC1(F)CC(F)(C(C)(F)F)OC1(F)C(F)(F)F.
What is the InChIKey of 5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane?
The InChIKey is NMLAVJQAGKNFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O/c1-3-6(12)4-7(13,5(2,10)11)18-8(6,14)9(15,16)17/h3-4H2,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane?
5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane has a molecular weight of 286.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 58488791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).