1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane

C13H18F10O2 — CID 88866205

IUPAC1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane
SMILESCOC(C)(C)C(F)(F)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)C(C)(F)F
InChIInChI=1S/C13H18F10O2/c1-7(2,24-6)11(18,19)12(20,21)13(22,23)25-8(3,4)10(16,17)9(5,14)15/h1-6H3
InChIKeyKJGUZZDBRVSRCH-UHFFFAOYSA-N
MW396.27 g/mol
LogP5.36
Rot. Bonds8

About 1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane

1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane (PubChem CID 88866205) has the molecular formula C13H18F10O2 and a molecular weight of 396.27 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane
PubChem CID88866205
Molecular FormulaC13H18F10O2
Molecular Weight396.27 g/mol
Exact Mass396.11
IUPAC Name1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane
SMILESCOC(C)(C)C(F)(F)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)C(C)(F)F
InChIInChI=1S/C13H18F10O2/c1-7(2,24-6)11(18,19)12(20,21)13(22,23)25-8(3,4)10(16,17)9(5,14)15/h1-6H3
InChIKeyKJGUZZDBRVSRCH-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.27
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane (CID 88866205) is 1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane is COC(C)(C)C(F)(F)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)C(C)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane?
The InChIKey is KJGUZZDBRVSRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F10O2/c1-7(2,24-6)11(18,19)12(20,21)13(22,23)25-8(3,4)10(16,17)9(5,14)15/h1-6H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane?
1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane has a molecular weight of 396.27 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane is sourced from PubChem (CID 88866205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).