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

C9H12F6O — CID 58249149

IUPAC2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane
SMILESCCC1(F)CC(F)(F)OC(F)(C(C)(F)F)C1
InChIInChI=1S/C9H12F6O/c1-3-7(12)4-8(13,6(2,10)11)16-9(14,15)5-7/h3-5H2,1-2H3
InChIKeySTDDOMSOMREPAV-UHFFFAOYSA-N
MW250.18 g/mol
LogP3.83
Rot. Bonds2

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

2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane (PubChem CID 58249149) has the molecular formula C9H12F6O and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane
PubChem CID58249149
Molecular FormulaC9H12F6O
Molecular Weight250.18 g/mol
Exact Mass250.08
IUPAC Name2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane
SMILESCCC1(F)CC(F)(F)OC(F)(C(C)(F)F)C1
InChIInChI=1S/C9H12F6O/c1-3-7(12)4-8(13,6(2,10)11)16-9(14,15)5-7/h3-5H2,1-2H3
InChIKeySTDDOMSOMREPAV-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 53.83
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-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
[1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane
CID 58436054

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane?
The IUPAC name of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane (CID 58249149) is 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane is CCC1(F)CC(F)(F)OC(F)(C(C)(F)F)C1.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane?
The InChIKey is STDDOMSOMREPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O/c1-3-7(12)4-8(13,6(2,10)11)16-9(14,15)5-7/h3-5H2,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane?
2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane has a molecular weight of 250.18 g/mol, XLogP of 3.83, 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 is sourced from PubChem (CID 58249149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).