1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane

C8H9F9O — CID 59422982

IUPAC1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane
SMILESCCC(C)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F9O/c1-3-5(2,8(15,16)17)18-4(6(9,10)11)7(12,13)14/h4H,3H2,1-2H3
InChIKeyIPYLEJKIMBPHBQ-UHFFFAOYSA-N
MW292.14 g/mol
LogP4.23
Rot. Bonds3

About 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane

1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane (PubChem CID 59422982) has the molecular formula C8H9F9O and a molecular weight of 292.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane
PubChem CID59422982
Molecular FormulaC8H9F9O
Molecular Weight292.14 g/mol
Exact Mass292.05
IUPAC Name1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane
SMILESCCC(C)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F9O/c1-3-5(2,8(15,16)17)18-4(6(9,10)11)7(12,13)14/h4H,3H2,1-2H3
InChIKeyIPYLEJKIMBPHBQ-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane with MolForge

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Related Compounds

Ethoxyhex a-fluorobutane
CID 53855163
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propoxypropane
CID 138604548
1,1-Difluoro-2-(2-methylbutan-2-yloxy)cyclopropane
CID 45090819
Hexafluorisopropylmethylather
CID 129635123
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
1,1,1,2,4,4,4-Heptafluoro-3-methoxy-2-(trifluoromethyl)butane
CID 21732773
3-(Difluoromethyl)-2,2-dimethyloxirane
CID 162535829
2-Ethoxy-2-(trifluoromethyl)-1,1,1,3,3,3-hexafluoropropane
CID 11065298
2-Butoxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 12713814
Propane, 1,1,2,2-tetrafluoro-3-(1-methylethoxy)-
CID 13201517
2-Methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
1,1,1-Trifluoro-2-(1,1,1-trifluoropropan-2-yloxy)propane
CID 18446147

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane?
The IUPAC name of 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane (CID 59422982) is 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane?
The canonical SMILES for 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane is CCC(C)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane?
The InChIKey is IPYLEJKIMBPHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O/c1-3-5(2,8(15,16)17)18-4(6(9,10)11)7(12,13)14/h4H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane?
1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane has a molecular weight of 292.14 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane is sourced from PubChem (CID 59422982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).