1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane

C10H16F6O — CID 57017041

IUPAC1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane
SMILESCC(C)(CC(F)(F)F)OC(C)(C)CC(F)(F)F
InChIInChI=1S/C10H16F6O/c1-7(2,5-9(11,12)13)17-8(3,4)6-10(14,15)16/h5-6H2,1-4H3
InChIKeyHBWGZABGSSVEMM-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.47
Rot. Bonds4

About 1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane

1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane (PubChem CID 57017041) has the molecular formula C10H16F6O and a molecular weight of 266.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane
PubChem CID57017041
Molecular FormulaC10H16F6O
Molecular Weight266.22 g/mol
Exact Mass266.11
IUPAC Name1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane
SMILESCC(C)(CC(F)(F)F)OC(C)(C)CC(F)(F)F
InChIInChI=1S/C10H16F6O/c1-7(2,5-9(11,12)13)17-8(3,4)6-10(14,15)16/h5-6H2,1-4H3
InChIKeyHBWGZABGSSVEMM-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 2782467
2-Methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10130317
2-(1,1,2,2,3,3,3-Heptafluoropropoxy)-2-methylpropane
CID 10198680
1,1,1,2-Tetrafluoro-3-methyl-2-(1,1,1,2-tetrafluoro-3-methylbutan-2-yl)oxybutane
CID 18913766
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane
CID 19066587
1,1,1-Trifluoro-2-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropane
CID 19087430
2-Methyl-2-[1,1,2,2-tetrafluoro-2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
CID 20760257
1-(1,1-Difluoro-3-methylbutoxy)-1,1-difluoro-3-methylbutane
CID 22731629
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;ethane;fluoromethane;1,1,1,2,4,4,4-heptafluorobutane
CID 54061669
1,1,1,3,4-Pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane
CID 57254299
1,1,1,2,2-Pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane
CID 57275164
1,1,1,2-Tetrafluoro-3-methyl-3-(3,4,4,4-tetrafluoro-2-methylbutan-2-yl)oxybutane
CID 57307598

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane?
The IUPAC name of 1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane (CID 57017041) is 1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane is CC(C)(CC(F)(F)F)OC(C)(C)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane?
The InChIKey is HBWGZABGSSVEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O/c1-7(2,5-9(11,12)13)17-8(3,4)6-10(14,15)16/h5-6H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane?
1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane has a molecular weight of 266.22 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane is sourced from PubChem (CID 57017041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).