4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane

C9H12F6O2 — CID 134373481

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane
SMILESCC(OC1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O2/c1-7(8(10,11)12,9(13,14)15)17-6-2-4-16-5-3-6/h6H,2-5H2,1H3
InChIKeyXYQSWYRSLQQRIT-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.07
Rot. Bonds2

About 4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane

4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane (PubChem CID 134373481) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane
PubChem CID134373481
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane
SMILESCC(OC1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O2/c1-7(8(10,11)12,9(13,14)15)17-6-2-4-16-5-3-6/h6H,2-5H2,1H3
InChIKeyXYQSWYRSLQQRIT-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane
CID 58450265
1-(4,4-Difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane
CID 87668658
4-[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane
CID 118217426
3-(1,1-Difluoroethoxy)-1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxypentane
CID 132008331
2,2,3,3,4,4-Hexafluoro-1-propan-2-yloxy-5-[2,2,3,3-tetrafluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pentane
CID 138466995
2-(1-Ethoxyethyl)-2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxane
CID 141862781
4-(3,3-Difluorobutylperoxy)oxane
CID 151377241
2,2,3,3,4,4-Hexafluoro-1-[(2-methylpropan-2-yl)oxy]-5-(2,2,3,3-tetrafluoro-3-propan-2-yloxypropoxy)pentane
CID 155773675
3-Fluoro-4-[(2-methylpropan-2-yl)oxy]oxane
CID 171453995
1,3-Bis(1,1,2,2,2-pentafluoroethoxy)pentane
CID 173758963
4-[2-(1,1,1-Trifluoro-2-methylbutan-2-yl)oxyethoxy]oxane
CID 174328086
Lithium 4-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)-2-methylbutan-2-olate
CID 175979978

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane (CID 134373481) is 4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane is CC(OC1CCOCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane?
The InChIKey is XYQSWYRSLQQRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-7(8(10,11)12,9(13,14)15)17-6-2-4-16-5-3-6/h6H,2-5H2,1H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane?
4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane has a molecular weight of 266.18 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyoxane is sourced from PubChem (CID 134373481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).