2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane

C9H9F11O — CID 88553226

IUPAC2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane
SMILESCC(F)(F)C(F)C(F)(F)C(C)(F)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C9H9F11O/c1-5(11,12)4(10)9(19,20)6(2,13)21-8(17,18)3-7(14,15)16/h4H,3H2,1-2H3
InChIKeyINAWXPZQAUQULO-UHFFFAOYSA-N
MW342.15 g/mol
LogP4.86
Rot. Bonds6

About 2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane

2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane (PubChem CID 88553226) has the molecular formula C9H9F11O and a molecular weight of 342.15 g/mol. Its IUPAC name is 2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane.

Molecular Properties

Compound Name2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane
PubChem CID88553226
Molecular FormulaC9H9F11O
Molecular Weight342.15 g/mol
Exact Mass342.05
IUPAC Name2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane
SMILESCC(F)(F)C(F)C(F)(F)C(C)(F)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C9H9F11O/c1-5(11,12)4(10)9(19,20)6(2,13)21-8(17,18)3-7(14,15)16/h4H,3H2,1-2H3
InChIKeyINAWXPZQAUQULO-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane?
The IUPAC name of 2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane (CID 88553226) is 2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane.
What is the SMILES notation for 2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane?
The canonical SMILES for 2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane is CC(F)(F)C(F)C(F)(F)C(C)(F)OC(F)(F)CC(F)(F)F.
What is the InChIKey of 2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane?
The InChIKey is INAWXPZQAUQULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F11O/c1-5(11,12)4(10)9(19,20)6(2,13)21-8(17,18)3-7(14,15)16/h4H,3H2,1-2H3.
What are the key properties of 2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane?
2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane has a molecular weight of 342.15 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5,5-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane is sourced from PubChem (CID 88553226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).