1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane

C7H6F10 — CID 19091138

IUPAC1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane
SMILESCC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10/c1-3(2,6(12,13)14)4(8,9)5(10,11)7(15,16)17/h1-2H3
InChIKeyNOELJNGAQRAHBY-UHFFFAOYSA-N
MW280.11 g/mol
LogP4.41
Rot. Bonds2

About 1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane

1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane (PubChem CID 19091138) has the molecular formula C7H6F10 and a molecular weight of 280.11 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane
PubChem CID19091138
Molecular FormulaC7H6F10
Molecular Weight280.11 g/mol
Exact Mass280.03
IUPAC Name1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane
SMILESCC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10/c1-3(2,6(12,13)14)4(8,9)5(10,11)7(15,16)17/h1-2H3
InChIKeyNOELJNGAQRAHBY-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane (CID 19091138) is 1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane is CC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane?
The InChIKey is NOELJNGAQRAHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10/c1-3(2,6(12,13)14)4(8,9)5(10,11)7(15,16)17/h1-2H3.
What are the key properties of 1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane?
1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane has a molecular weight of 280.11 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,5-decafluoro-4,4-dimethylpentane is sourced from PubChem (CID 19091138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).