2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane

C14H22F8O2 — CID 134214281

IUPAC2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane
SMILESCC(C)OC(F)(F)C(C)(C)OC(F)(C(F)(F)F)C(F)(F)C(C)(C)C
InChIInChI=1S/C14H22F8O2/c1-8(2)23-14(21,22)10(6,7)24-12(17,13(18,19)20)11(15,16)9(3,4)5/h8H,1-7H3
InChIKeyYRERZTNGAIXGMI-UHFFFAOYSA-N
MW374.31 g/mol
LogP5.71
Rot. Bonds6

About 2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane

2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane (PubChem CID 134214281) has the molecular formula C14H22F8O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane
PubChem CID134214281
Molecular FormulaC14H22F8O2
Molecular Weight374.31 g/mol
Exact Mass374.15
IUPAC Name2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane
SMILESCC(C)OC(F)(F)C(C)(C)OC(F)(C(F)(F)F)C(F)(F)C(C)(C)C
InChIInChI=1S/C14H22F8O2/c1-8(2)23-14(21,22)10(6,7)24-12(17,13(18,19)20)11(15,16)9(3,4)5/h8H,1-7H3
InChIKeyYRERZTNGAIXGMI-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.31
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-[2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane
CID 58623570
2-Methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane
CID 59741566
2-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane
CID 90196552
3-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane
CID 90334186
2,2-Dimethyl-3-[2-(trifluoromethoxy)ethoxy]butane
CID 117705049
3-[2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)ethoxy]-2,2,5,5-tetramethylhexane
CID 117767702
1,1,1-Trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane
CID 118217389
1,1,1-Trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)hexane
CID 118912776
1,1,1-Trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)pentane
CID 121274671
2-[1,1-Difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane
CID 126695392
1-[1,1-Difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane
CID 126695567

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane?
The IUPAC name of 2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane (CID 134214281) is 2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane.
What is the SMILES notation for 2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane?
The canonical SMILES for 2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane is CC(C)OC(F)(F)C(C)(C)OC(F)(C(F)(F)F)C(F)(F)C(C)(C)C.
What is the InChIKey of 2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane?
The InChIKey is YRERZTNGAIXGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F8O2/c1-8(2)23-14(21,22)10(6,7)24-12(17,13(18,19)20)11(15,16)9(3,4)5/h8H,1-7H3.
What are the key properties of 2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane?
2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane has a molecular weight of 374.31 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane is sourced from PubChem (CID 134214281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).