2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane

C10H12F10O — CID 123188888

IUPAC2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane
SMILESCCC1(F)CC(F)(F)OC(F)(C(C)(F)F)C1.FC(F)(F)F
InChIInChI=1S/C9H12F6O.CF4/c1-3-7(12)4-8(13,6(2,10)11)16-9(14,15)5-7;2-1(3,4)5/h3-5H2,1-2H3;
InChIKeyWJHTZARPCYDFJZ-UHFFFAOYSA-N
MW338.19 g/mol
LogP5.30
Rot. Bonds2

About 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane

2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane (PubChem CID 123188888) has the molecular formula C10H12F10O and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane
PubChem CID123188888
Molecular FormulaC10H12F10O
Molecular Weight338.19 g/mol
Exact Mass338.07
IUPAC Name2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane
SMILESCCC1(F)CC(F)(F)OC(F)(C(C)(F)F)C1.FC(F)(F)F
InChIInChI=1S/C9H12F6O.CF4/c1-3-7(12)4-8(13,6(2,10)11)16-9(14,15)5-7;2-1(3,4)5/h3-5H2,1-2H3;
InChIKeyWJHTZARPCYDFJZ-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.19
LogP ≤ 55.30
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
2,4-Diethyl-2,3,3,4,5,5-hexafluorooxolane
CID 21397503
2,2,3,3,4,4,5,6-Octafluoro-5-methyl-6-(trifluoromethyl)oxane
CID 53851250
2-(1,1-Difluoroethyl)-2,3,3,4,5,5,6,6-octafluoro-4-methyloxane
CID 57562038
(4S)-3,3-difluoro-2,4,6-trimethyl-2,6-bis(trifluoromethyl)oxane
CID 57682218
2-Ethyl-2,3,3,5,5,6,6-heptafluoro-4-methyloxane
CID 57693925
6-(1,1-Difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluoro-2-(trifluoromethyl)oxane
CID 58249148
2-(1,1-Difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane
CID 58249149
2-Chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane
CID 58249151
6-Ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane
CID 58249152

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane?
The IUPAC name of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane (CID 123188888) is 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane is CCC1(F)CC(F)(F)OC(F)(C(C)(F)F)C1.FC(F)(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane?
The InChIKey is WJHTZARPCYDFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O.CF4/c1-3-7(12)4-8(13,6(2,10)11)16-9(14,15)5-7;2-1(3,4)5/h3-5H2,1-2H3;.
What are the key properties of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane?
2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane has a molecular weight of 338.19 g/mol, XLogP of 5.30, 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)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane is sourced from PubChem (CID 123188888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).