2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane

C7H2F12O — CID 89360278

IUPAC2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane
SMILESFC1C(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C1(F)F
InChIInChI=1S/C7H2F12O/c8-1(5(13,14)15)3(10)4(11,12)2(9)6(16,17)20-7(3,18)19/h1-2H
InChIKeyUVZDTQPSIARQJC-UHFFFAOYSA-N
MW330.07 g/mol
LogP3.78
Rot. Bonds1

About 2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane

2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane (PubChem CID 89360278) has the molecular formula C7H2F12O and a molecular weight of 330.07 g/mol. Its IUPAC name is 2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane.

Molecular Properties

Compound Name2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane
PubChem CID89360278
Molecular FormulaC7H2F12O
Molecular Weight330.07 g/mol
Exact Mass329.99
IUPAC Name2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane
SMILESFC1C(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C1(F)F
InChIInChI=1S/C7H2F12O/c8-1(5(13,14)15)3(10)4(11,12)2(9)6(16,17)20-7(3,18)19/h1-2H
InChIKeyUVZDTQPSIARQJC-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.07
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,4,5,6,6-Nonafluoro-5-(1,1,2,2,2-pentafluoroethyl)oxane
CID 23236431
2,2,3,3,4,4,5,6-Octafluoro-5-methyl-6-(trifluoromethyl)oxane
CID 53851250
2,2,3,3,4,6-Hexafluoro-6-(fluoromethyl)-5-(trifluoromethyl)oxane
CID 57667496
3-Ethyl-2,2,3,5,5,6,6-heptafluorooxane
CID 58488795
4-Ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane
CID 58488803
2,2,3,4,4,5,5,6-Octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane
CID 88795069
2,3,3,4,5,6,6-Heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89139771
2,2,3,3,4,5,5,6-Octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89318755
3-(Difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane
CID 89360189
3-Ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane
CID 123225304
2,2,3,3,4,6-Hexafluoro-4,6-dimethyloxane
CID 129292187
2,2,3,3,4,5,5,6,6-Nonafluoro-4-(fluoromethyl)oxane
CID 156678057

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane?
The IUPAC name of 2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane (CID 89360278) is 2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane.
What is the SMILES notation for 2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane?
The canonical SMILES for 2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane is FC1C(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C1(F)F.
What is the InChIKey of 2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane?
The InChIKey is UVZDTQPSIARQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12O/c8-1(5(13,14)15)3(10)4(11,12)2(9)6(16,17)20-7(3,18)19/h1-2H.
What are the key properties of 2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane?
2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane has a molecular weight of 330.07 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,5,6,6-octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane is sourced from PubChem (CID 89360278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).