6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane

C13H22F4O — CID 58249150

IUPAC6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC(C)(C)C1(C)C
InChIInChI=1S/C13H22F4O/c1-7-12(16)8-13(17,11(6,14)15)18-10(4,5)9(12,2)3/h7-8H2,1-6H3
InChIKeyOJJNHKPNSNOAAL-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.65
Rot. Bonds2

About 6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane

6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane (PubChem CID 58249150) has the molecular formula C13H22F4O and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane
PubChem CID58249150
Molecular FormulaC13H22F4O
Molecular Weight270.31 g/mol
Exact Mass270.16
IUPAC Name6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC(C)(C)C1(C)C
InChIInChI=1S/C13H22F4O/c1-7-12(16)8-13(17,11(6,14)15)18-10(4,5)9(12,2)3/h7-8H2,1-6H3
InChIKeyOJJNHKPNSNOAAL-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4,6-Tetramethyl-2,6-bis(trifluoromethyl)oxane
CID 57682188
2,4,6-Trimethyl-2,4,6-tris(trifluoromethyl)oxane
CID 57682254
6-(1,1-Difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane
CID 58488789
4-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane
CID 89226710
4-Tert-butyl-2-(difluoromethyl)-2,3,3,4,5,5,6-heptafluoro-6-(trifluoromethyl)oxane
CID 89362186
2-(1,1-Difluoro-2,2-dimethylbutyl)-2,3,3,4,5,5,6,6,7,7-decafluoro-4-(2-methylbutan-2-yl)oxepane
CID 89652540
4-Tert-butyl-2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,3,4,5,5,6,6-octafluorooxane
CID 89652566
2-(1,1-Difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluoro-4-(2-methylbutan-2-yl)oxolane
CID 89652567
4-Tert-butyl-2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane
CID 89652568
(3R)-2,3-ditert-butyl-6-(difluoromethyl)oxane
CID 89936050
1-Methyl-1-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane
CID 118217410
2-(1,1-Difluoroethyl)-2,3,4,5,6-pentafluoro-3,4,5,6-tetramethyloxane
CID 118530223

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane?
The IUPAC name of 6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane (CID 58249150) is 6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane.
What is the SMILES notation for 6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane?
The canonical SMILES for 6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane is CCC1(F)CC(F)(C(C)(F)F)OC(C)(C)C1(C)C.
What is the InChIKey of 6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane?
The InChIKey is OJJNHKPNSNOAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F4O/c1-7-12(16)8-13(17,11(6,14)15)18-10(4,5)9(12,2)3/h7-8H2,1-6H3.
What are the key properties of 6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane?
6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane has a molecular weight of 270.31 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane is sourced from PubChem (CID 58249150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).