2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane

C9H12F8O — CID 159803316

IUPAC2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane
SMILESC.CCC1(F)C(F)(F)C(F)(F)OC1(F)C(C)(F)F
InChIInChI=1S/C8H8F8O.CH4/c1-3-5(11)6(12,13)8(15,16)17-7(5,14)4(2,9)10;/h3H2,1-2H3;1H4
InChIKeyNKBKZOYPVIPXQH-UHFFFAOYSA-N
MW288.18 g/mol
LogP4.32
Rot. Bonds2

About 2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane

2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane (PubChem CID 159803316) has the molecular formula C9H12F8O and a molecular weight of 288.18 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane
PubChem CID159803316
Molecular FormulaC9H12F8O
Molecular Weight288.18 g/mol
Exact Mass288.08
IUPAC Name2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane
SMILESC.CCC1(F)C(F)(F)C(F)(F)OC1(F)C(C)(F)F
InChIInChI=1S/C8H8F8O.CH4/c1-3-5(11)6(12,13)8(15,16)17-7(5,14)4(2,9)10;/h3H2,1-2H3;1H4
InChIKeyNKBKZOYPVIPXQH-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane
CID 58545276
fluoroethane;fluoromethane;2,2,3,3,4,5,5-heptafluoro-4-(fluoromethyl)oxolane
CID 159579542
2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
CID 19026789
2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
CID 71396792
1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride
CID 169224044
2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane
CID 12596606
2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 170016088
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
2-ethyl-4-[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 59628174
2-(1,1-difluoroethyl)-2,3,3,5,5-pentafluorooxolane
CID 20700669
1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane
CID 121274032
(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 95054915

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane?
The IUPAC name of 2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane (CID 159803316) is 2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane?
The canonical SMILES for 2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane is C.CCC1(F)C(F)(F)C(F)(F)OC1(F)C(C)(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane?
The InChIKey is NKBKZOYPVIPXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O.CH4/c1-3-5(11)6(12,13)8(15,16)17-7(5,14)4(2,9)10;/h3H2,1-2H3;1H4.
What are the key properties of 2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane?
2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane has a molecular weight of 288.18 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane is sourced from PubChem (CID 159803316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).