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

C5H4F6O — CID 174353448

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

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

1,1,1,3,3,5-hexafluoropentan-2-one (PubChem CID 174353448) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is 1,1,1,3,3,5-hexafluoropentan-2-one.

Molecular Properties

Compound Name1,1,1,3,3,5-hexafluoropentan-2-one
PubChem CID174353448
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name1,1,1,3,3,5-hexafluoropentan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)CCF
InChIInChI=1S/C5H4F6O/c6-2-1-4(7,8)3(12)5(9,10)11/h1-2H2
InChIKeyAREWBDWQYQHWPV-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

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Related Compounds

tris(1,1,1,3,3,3-hexafluoropropan-2-one);iron
CID 159237842
cerium;1,1,1,3,3,3-hexafluoropropan-2-one
CID 90019366
1,1,3-trifluoropropan-1-ol
CID 18319092
1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide
CID 174432206
1,1,1,3,3-pentafluorobutan-2-one
CID 21483509
3,3,4,4-tetrabromo-1,1,1,6,6,6-hexafluorohexane-2,5-dione
CID 170155777
(2R)-2,6-diamino-2-(2,2,2-trifluoroacetyl)hexanoic acid
CID 18393057
1,1,1,3-tetrafluoropropan-2-one;hydrate
CID 87581262
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
CID 173351670
1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;dihydrate
CID 157182838
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
difluoromethane;1,1,1,3-tetrafluoropropane
CID 91452847

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,5-hexafluoropentan-2-one?
The IUPAC name of 1,1,1,3,3,5-hexafluoropentan-2-one (CID 174353448) is 1,1,1,3,3,5-hexafluoropentan-2-one.
What is the SMILES notation for 1,1,1,3,3,5-hexafluoropentan-2-one?
The canonical SMILES for 1,1,1,3,3,5-hexafluoropentan-2-one is O=C(C(F)(F)F)C(F)(F)CCF.
What is the InChIKey of 1,1,1,3,3,5-hexafluoropentan-2-one?
The InChIKey is AREWBDWQYQHWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O/c6-2-1-4(7,8)3(12)5(9,10)11/h1-2H2.
What are the key properties of 1,1,1,3,3,5-hexafluoropentan-2-one?
1,1,1,3,3,5-hexafluoropentan-2-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 1,1,1,3,3,5-hexafluoropentan-2-one is sourced from PubChem (CID 174353448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).