1,1,1,5,5,5-hexafluoropentan-3-one

C5H4F6O — CID 10631643

IUPAC1,1,1,5,5,5-hexafluoropentan-3-one
SMILESO=C(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C5H4F6O/c6-4(7,8)1-3(12)2-5(9,10)11/h1-2H2
InChIKeyQGYHOLFDHMQCKG-UHFFFAOYSA-N
MW194.07 g/mol
LogP2.46
Rot. Bonds2

About 1,1,1,5,5,5-hexafluoropentan-3-one

1,1,1,5,5,5-hexafluoropentan-3-one (PubChem CID 10631643) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoropentan-3-one.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoropentan-3-one
PubChem CID10631643
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name1,1,1,5,5,5-hexafluoropentan-3-one
SMILESO=C(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C5H4F6O/c6-4(7,8)1-3(12)2-5(9,10)11/h1-2H2
InChIKeyQGYHOLFDHMQCKG-UHFFFAOYSA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoropentan-3-one?
The IUPAC name of 1,1,1,5,5,5-hexafluoropentan-3-one (CID 10631643) is 1,1,1,5,5,5-hexafluoropentan-3-one.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoropentan-3-one?
The canonical SMILES for 1,1,1,5,5,5-hexafluoropentan-3-one is O=C(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoropentan-3-one?
The InChIKey is QGYHOLFDHMQCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O/c6-4(7,8)1-3(12)2-5(9,10)11/h1-2H2.
What are the key properties of 1,1,1,5,5,5-hexafluoropentan-3-one?
1,1,1,5,5,5-hexafluoropentan-3-one has a molecular weight of 194.07 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoropentan-3-one is sourced from PubChem (CID 10631643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).