1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane

C6H5F9 — CID 86215913

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane
SMILESCC(F)(C(F)C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9/c1-4(9,6(13,14)15)2(7)3(8)5(10,11)12/h2-3H,1H3
InChIKeyWEIQFHTYJJAEES-UHFFFAOYSA-N
MW248.09 g/mol
LogP3.52
Rot. Bonds2

About 1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane

1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane (PubChem CID 86215913) has the molecular formula C6H5F9 and a molecular weight of 248.09 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane
PubChem CID86215913
Molecular FormulaC6H5F9
Molecular Weight248.09 g/mol
Exact Mass248.02
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane
SMILESCC(F)(C(F)C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9/c1-4(9,6(13,14)15)2(7)3(8)5(10,11)12/h2-3H,1H3
InChIKeyWEIQFHTYJJAEES-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane (CID 86215913) is 1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane is CC(F)(C(F)C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane?
The InChIKey is WEIQFHTYJJAEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9/c1-4(9,6(13,14)15)2(7)3(8)5(10,11)12/h2-3H,1H3.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane has a molecular weight of 248.09 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane is sourced from PubChem (CID 86215913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).