1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane

C36H22F54O6 — CID 91056613

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane
SMILESCCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C18H11F27O3/c2*1-2-6(3-46-7(10(19,20)21,11(22,23)24)12(25,26)27,4-47-8(13(28,29)30,14(31,32)33)15(34,35)36)5-48-9(16(37,38)39,17(40,41)42)18(43,44)45/h2*2-5H2,1H3
InChIKeyGDVSGIUZPJRABG-UHFFFAOYSA-N
MW1576.46 g/mol
LogP19.42
Rot. Bonds20

About 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane

1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane (PubChem CID 91056613) has the molecular formula C36H22F54O6 and a molecular weight of 1576.46 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane
PubChem CID91056613
Molecular FormulaC36H22F54O6
Molecular Weight1576.46 g/mol
Exact Mass1576.06
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane
SMILESCCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C18H11F27O3/c2*1-2-6(3-46-7(10(19,20)21,11(22,23)24)12(25,26)27,4-47-8(13(28,29)30,14(31,32)33)15(34,35)36)5-48-9(16(37,38)39,17(40,41)42)18(43,44)45/h2*2-5H2,1H3
InChIKeyGDVSGIUZPJRABG-UHFFFAOYSA-N
XLogP19.42
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001576.46
LogP ≤ 519.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane with MolForge

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Related Compounds

1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane
CID 57915811
1-Butan-2-yloxy-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propane
CID 57915846
1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-methoxypropane
CID 57915850
1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-2-(methoxymethyl)butane
CID 57915853
1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-2-methylbutane
CID 57915859
1,1,1,5,5,5-Hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane
CID 58275088
1-(3,3-Difluorobutan-2-yloxy)-1,1-difluoro-2,2,3-trimethyl-3-(1,1,2,2-tetrafluoro-3-methoxybutoxy)butane
CID 88866204
3-(Difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 89343999
1-Methoxy-2-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)butane
CID 89691784
4-[4-(3,3-Difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol
CID 118423033
1-Methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane
CID 118582146
3-Methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane
CID 129015976

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane (CID 91056613) is 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane is CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane?
The InChIKey is GDVSGIUZPJRABG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H11F27O3/c2*1-2-6(3-46-7(10(19,20)21,11(22,23)24)12(25,26)27,4-47-8(13(28,29)30,14(31,32)33)15(34,35)36)5-48-9(16(37,38)39,17(40,41)42)18(43,44)45/h2*2-5H2,1H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane?
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane has a molecular weight of 1576.46 g/mol, XLogP of 19.42, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane is sourced from PubChem (CID 91056613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).