1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one

C5F10O — CID 13115943

IUPAC1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one
SMILESO=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O/c6-2(7,4(10,11)12)1(16)3(8,9)5(13,14)15
InChIKeyALVFUQVKODCQQB-UHFFFAOYSA-N
MW266.03 g/mol
LogP2.95
Rot. Bonds2

About 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one

1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one (PubChem CID 13115943) has the molecular formula C5F10O and a molecular weight of 266.03 g/mol. Its IUPAC name is 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one.

Molecular Properties

Compound Name1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one
PubChem CID13115943
Molecular FormulaC5F10O
Molecular Weight266.03 g/mol
Exact Mass265.98
IUPAC Name1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one
SMILESO=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O/c6-2(7,4(10,11)12)1(16)3(8,9)5(13,14)15
InChIKeyALVFUQVKODCQQB-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.03
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one?
The IUPAC name of 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one (CID 13115943) is 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one.
What is the SMILES notation for 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one?
The canonical SMILES for 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one is O=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one?
The InChIKey is ALVFUQVKODCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O/c6-2(7,4(10,11)12)1(16)3(8,9)5(13,14)15.
What are the key properties of 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one?
1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one has a molecular weight of 266.03 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one is sourced from PubChem (CID 13115943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).