[2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane

C19H28F12O — CID 90760835

IUPAC[2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CCC(C)OCC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O.C5H6F6/c1-3-10(2)21-9-12(13(15,16)17,14(18,19)20)11-7-5-4-6-8-11;1-3(2,4(6,7)8)5(9,10)11/h10-11H,3-9H2,1-2H3;1-2H3
InChIKeyJLEJXBUXPAFCRZ-UHFFFAOYSA-N
MW500.41 g/mol
LogP8.63
Rot. Bonds5

About [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane

[2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane (PubChem CID 90760835) has the molecular formula C19H28F12O and a molecular weight of 500.41 g/mol. Its IUPAC name is [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane.

Molecular Properties

Compound Name[2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
PubChem CID90760835
Molecular FormulaC19H28F12O
Molecular Weight500.41 g/mol
Exact Mass500.19
IUPAC Name[2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CCC(C)OCC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O.C5H6F6/c1-3-10(2)21-9-12(13(15,16)17,14(18,19)20)11-7-5-4-6-8-11;1-3(2,4(6,7)8)5(9,10)11/h10-11H,3-9H2,1-2H3;1-2H3
InChIKeyJLEJXBUXPAFCRZ-UHFFFAOYSA-N
XLogP8.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.41
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane with MolForge

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Related Compounds

1-Tert-butyl-4-(trifluoromethoxy)cyclohexane
CID 138972410
Difluorothromboxane
CID 129674200
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
1-Ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane
CID 20583759
1-[1,1,1,3,3,3-Hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane
CID 20583761
1-[Difluoro(1,1,1-trifluorooctan-2-yloxy)methyl]-4-(4-fluorocyclohexyl)cyclohexane
CID 21028964
2,3-Bis[1-(trifluoromethyl)cyclohexyl]oxirane
CID 21447521
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-methyl-7-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methylnonan-3-yl)oxynonane
CID 56999091
(5-Cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane
CID 57089438
2-Pentyl-5-[4-(trifluoromethyl)cyclohexyl]oxane
CID 57702264

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane?
The IUPAC name of [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane (CID 90760835) is [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane.
What is the SMILES notation for [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane?
The canonical SMILES for [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane is CC(C)(C(F)(F)F)C(F)(F)F.CCC(C)OCC(C1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane?
The InChIKey is JLEJXBUXPAFCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F6O.C5H6F6/c1-3-10(2)21-9-12(13(15,16)17,14(18,19)20)11-7-5-4-6-8-11;1-3(2,4(6,7)8)5(9,10)11/h10-11H,3-9H2,1-2H3;1-2H3.
What are the key properties of [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane?
[2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane has a molecular weight of 500.41 g/mol, XLogP of 8.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane is sourced from PubChem (CID 90760835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).