1,1,1,2,2,5-hexafluoropentan-3-one

C5H4F6O — CID 71359523

IUPAC1,1,1,2,2,5-hexafluoropentan-3-one
SMILESO=C(CCF)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F6O/c6-2-1-3(12)4(7,8)5(9,10)11/h1-2H2
InChIKeyCJMNFGFSYMBBEL-UHFFFAOYSA-N
MW194.07 g/mol
LogP2.11
Rot. Bonds3

About 1,1,1,2,2,5-hexafluoropentan-3-one

1,1,1,2,2,5-hexafluoropentan-3-one (PubChem CID 71359523) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is 1,1,1,2,2,5-hexafluoropentan-3-one.

Molecular Properties

Compound Name1,1,1,2,2,5-hexafluoropentan-3-one
PubChem CID71359523
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name1,1,1,2,2,5-hexafluoropentan-3-one
SMILESO=C(CCF)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F6O/c6-2-1-3(12)4(7,8)5(9,10)11/h1-2H2
InChIKeyCJMNFGFSYMBBEL-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2-pentafluoro-5-sulfanylidenehexan-3-one
CID 139614689
1,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptan-2-one
CID 175056304
(5R)-1,1,1,2,2,6,6,7,7,7-decafluoro-5-hydroxy-5-methylheptan-3-one
CID 98454869
1,1,1,2,2,6,6,7,7,7-decafluoroheptane-3,5-dione;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione
CID 162074940
8-chloro-1,1,1,2,2,3,3-heptafluorooctan-4-one
CID 171776124
1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluorononane-4,6-dione
CID 617328
copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935
Pentafluoropropanoic acid sodium
CID 71650614
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
CID 22174013
1,1,1,3-tetrafluoropropan-2-one;hydrate
CID 87581262
strontium;hydride;2,2,3,3,3-pentafluoropropanoic acid
CID 173226742
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
CID 173351670

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,5-hexafluoropentan-3-one?
The IUPAC name of 1,1,1,2,2,5-hexafluoropentan-3-one (CID 71359523) is 1,1,1,2,2,5-hexafluoropentan-3-one.
What is the SMILES notation for 1,1,1,2,2,5-hexafluoropentan-3-one?
The canonical SMILES for 1,1,1,2,2,5-hexafluoropentan-3-one is O=C(CCF)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,5-hexafluoropentan-3-one?
The InChIKey is CJMNFGFSYMBBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O/c6-2-1-3(12)4(7,8)5(9,10)11/h1-2H2.
What are the key properties of 1,1,1,2,2,5-hexafluoropentan-3-one?
1,1,1,2,2,5-hexafluoropentan-3-one has a molecular weight of 194.07 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,5-hexafluoropentan-3-one is sourced from PubChem (CID 71359523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).