3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane

C6H2F10O — CID 89360189

IUPAC3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane
SMILESFC1C(F)(F)OC(F)(F)C(F)(C(F)F)C1(F)F
InChIInChI=1S/C6H2F10O/c7-1-4(11,12)3(10,2(8)9)6(15,16)17-5(1,13)14/h1-2H
InChIKeyFGWIREPKLYVEEK-UHFFFAOYSA-N
MW280.06 g/mol
LogP3.15
Rot. Bonds1

About 3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane

3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane (PubChem CID 89360189) has the molecular formula C6H2F10O and a molecular weight of 280.06 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane.

Molecular Properties

Compound Name3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane
PubChem CID89360189
Molecular FormulaC6H2F10O
Molecular Weight280.06 g/mol
Exact Mass279.99
IUPAC Name3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane
SMILESFC1C(F)(F)OC(F)(F)C(F)(C(F)F)C1(F)F
InChIInChI=1S/C6H2F10O/c7-1-4(11,12)3(10,2(8)9)6(15,16)17-5(1,13)14/h1-2H
InChIKeyFGWIREPKLYVEEK-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 53.15
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-(trifluoromethyl)oxane
CID 71396791
2,2,3,3,5,5,6,6-Octafluorooxane
CID 18737302
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane
CID 58488798
2,2,3,4,4,5,5,6-Octafluoro-3-(trifluoromethyl)oxane
CID 88794808
(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89214814
2,2,3,4,4,5,6,6-Octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane
CID 89360278
2,2,3,3,4,5,5,6,6-Nonafluoro-4-(fluoromethyl)oxane
CID 156678057
3-Fluoro-3-(trifluoromethyl)oxane
CID 163857250
2,2,3,3,4,5,5,6,6-Nonafluorooxane
CID 73057419
2,2,6,6-Tetrafluoro-4-(trifluoromethyl)oxane
CID 73057715
2,2,3,3,4,5,5,6-Octafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 101567731
2,4-Bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane
CID 102034480

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane?
The IUPAC name of 3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane (CID 89360189) is 3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane.
What is the SMILES notation for 3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane?
The canonical SMILES for 3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane is FC1C(F)(F)OC(F)(F)C(F)(C(F)F)C1(F)F.
What is the InChIKey of 3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane?
The InChIKey is FGWIREPKLYVEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10O/c7-1-4(11,12)3(10,2(8)9)6(15,16)17-5(1,13)14/h1-2H.
What are the key properties of 3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane?
3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane has a molecular weight of 280.06 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane is sourced from PubChem (CID 89360189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).