1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane

C13H15F13O — CID 126760348

IUPAC1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane
SMILESCC(C)(C)C(F)(F)C(F)(OC(C)(C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H15F13O/c1-6(2,3)8(14,15)11(20,13(24,25)26)27-7(4,5)9(16,17)10(18,19)12(21,22)23/h1-5H3
InChIKeyFERRLZQIJRVEFU-UHFFFAOYSA-N
MW434.24 g/mol
LogP6.52
Rot. Bonds5

About 1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane

1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane (PubChem CID 126760348) has the molecular formula C13H15F13O and a molecular weight of 434.24 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane
PubChem CID126760348
Molecular FormulaC13H15F13O
Molecular Weight434.24 g/mol
Exact Mass434.09
IUPAC Name1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane
SMILESCC(C)(C)C(F)(F)C(F)(OC(C)(C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H15F13O/c1-6(2,3)8(14,15)11(20,13(24,25)26)27-7(4,5)9(16,17)10(18,19)12(21,22)23/h1-5H3
InChIKeyFERRLZQIJRVEFU-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.24
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane?
The IUPAC name of 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) is 1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane is CC(C)(C)C(F)(F)C(F)(OC(C)(C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane?
The InChIKey is FERRLZQIJRVEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F13O/c1-6(2,3)8(14,15)11(20,13(24,25)26)27-7(4,5)9(16,17)10(18,19)12(21,22)23/h1-5H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane?
1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane has a molecular weight of 434.24 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane is sourced from PubChem (CID 126760348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).