4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane

C12H18F6O2 — CID 118217426

IUPAC4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane
SMILESCC(C)(C)C(OC1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O2/c1-9(2,3)10(11(13,14)15,12(16,17)18)20-8-4-6-19-7-5-8/h8H,4-7H2,1-3H3
InChIKeyAYYAJKWGWCSLIX-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.09
Rot. Bonds2

About 4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane

4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane (PubChem CID 118217426) has the molecular formula C12H18F6O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane.

Molecular Properties

Compound Name4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane
PubChem CID118217426
Molecular FormulaC12H18F6O2
Molecular Weight308.26 g/mol
Exact Mass308.12
IUPAC Name4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane
SMILESCC(C)(C)C(OC1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O2/c1-9(2,3)10(11(13,14)15,12(16,17)18)20-8-4-6-19-7-5-8/h8H,4-7H2,1-3H3
InChIKeyAYYAJKWGWCSLIX-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-Difluorobutan-2-yloxy)-1,1-difluoro-2,2,3-trimethyl-3-(1,1,2,2-tetrafluoro-3-methoxybutoxy)butane
CID 88866204
2-[Difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane
CID 88907626
2,4-Dimethyl-1-(2,2,3,3,3-pentafluoropropoxy)-2-(propan-2-yloxymethyl)pentane
CID 117634674
4-[[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]oxane
CID 118217396
[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane
CID 118217430
4-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxyoxane
CID 134373481
1,1,1-Trifluoro-4,4-dimethyl-2-[5,5,5-trifluoro-2-methyl-4-(trifluoromethoxy)pentan-2-yl]oxypentane
CID 142051950
4-[2-(1,1,1-Trifluoro-2,3-dimethylbutan-2-yl)oxyethoxy]oxane
CID 171746631
4-[2-(1,1,1-Trifluoro-2-methylbutan-2-yl)oxyethoxy]oxane
CID 174328086
4-(2,3,3-Trimethylbutan-2-yloxy)oxane
CID 58374204

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane?
The IUPAC name of 4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane (CID 118217426) is 4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane.
What is the SMILES notation for 4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane?
The canonical SMILES for 4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane is CC(C)(C)C(OC1CCOCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane?
The InChIKey is AYYAJKWGWCSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O2/c1-9(2,3)10(11(13,14)15,12(16,17)18)20-8-4-6-19-7-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane?
4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane has a molecular weight of 308.26 g/mol, XLogP of 4.09, 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-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane is sourced from PubChem (CID 118217426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).