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

C15H24F8O2 — CID 126695392

IUPAC2-[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
SMILESCC(C)(C)OC(F)(F)C(C)(C)OC(F)(C(F)(F)F)C(F)(F)C(C)(C)C
InChIInChI=1S/C15H24F8O2/c1-9(2,3)12(16,17)13(18,14(19,20)21)25-11(7,8)15(22,23)24-10(4,5)6/h1-8H3
InChIKeyYNBOJYGERNUJBV-UHFFFAOYSA-N
MW388.34 g/mol
LogP6.10
Rot. Bonds5

About 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

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 (PubChem CID 126695392) has the molecular formula C15H24F8O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID126695392
Molecular FormulaC15H24F8O2
Molecular Weight388.34 g/mol
Exact Mass388.16
IUPAC Name2-[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
SMILESCC(C)(C)OC(F)(F)C(C)(C)OC(F)(C(F)(F)F)C(F)(F)C(C)(C)C
InChIInChI=1S/C15H24F8O2/c1-9(2,3)12(16,17)13(18,14(19,20)21)25-11(7,8)15(22,23)24-10(4,5)6/h1-8H3
InChIKeyYNBOJYGERNUJBV-UHFFFAOYSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-Difluoroethyl)-3-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methyl]-2,2,4,4-tetrafluoropentane
CID 57623890
3-[Difluoro-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylbutan-2-yl)oxyethoxy]methyl]-3-(trifluoromethoxy)pentane
CID 88873942
3-Ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane
CID 88936043
2-(Difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane
CID 89190307
2-(Difluoromethyl)-1,1,1,2-tetrafluoro-3-methyl-3-[1,1,2,2-tetrafluoro-2-(2-fluorobutan-2-yloxy)ethoxy]pentane
CID 90131556
2,3-Difluoro-2,3-dimethoxy-4,4-dimethylpentane
CID 90463878
3-[2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)ethoxy]-2,2,5,5-tetramethylhexane
CID 117767702
3-(1,1-Difluoro-2-methylpropan-2-yl)oxy-4-ethyl-2,2,3,5,5-pentafluoro-4-methylhexane
CID 117935615
1,1,1-Trifluoro-2-(2-methoxyethoxy)-2-(trifluoromethyl)pentane
CID 121274671
1,1,1,2,3,3-Hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane
CID 123587531
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
1,1,1,2,3,3-Hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane
CID 126760348

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(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-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane?
The InChIKey is YNBOJYGERNUJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F8O2/c1-9(2,3)12(16,17)13(18,14(19,20)21)25-11(7,8)15(22,23)24-10(4,5)6/h1-8H3.
What are the key properties of 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?
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 has a molecular weight of 388.34 g/mol, XLogP of 6.10, 5 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-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane is sourced from PubChem (CID 126695392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).