1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one

C6F10O4S — CID 178076277

IUPAC1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)S(=O)(=O)C(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C6F10O4S/c7-3(8,9)1(17)5(13,14)21(19,20)6(15,16)2(18)4(10,11)12
InChIKeySOBDVBLKGAPYRT-UHFFFAOYSA-N
MW358.11 g/mol
LogP1.85
Rot. Bonds4

About 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one

1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one (PubChem CID 178076277) has the molecular formula C6F10O4S and a molecular weight of 358.11 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one
PubChem CID178076277
Molecular FormulaC6F10O4S
Molecular Weight358.11 g/mol
Exact Mass357.94
IUPAC Name1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)S(=O)(=O)C(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C6F10O4S/c7-3(8,9)1(17)5(13,14)21(19,20)6(15,16)2(18)4(10,11)12
InChIKeySOBDVBLKGAPYRT-UHFFFAOYSA-N
XLogP1.85
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.11
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,3,3,3-pentafluoro-2-oxopropane-1-sulfonyl chloride
CID 12559151
cerium;1,1,1,3,3,3-hexafluoropropan-2-one
CID 90019366
tris(1,1,1,3,3,3-hexafluoropropan-2-one);iron
CID 159237842
tris(trifluoromethylsulfonyl)methanol
CID 89484396
1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide
CID 174432206
3,3,4,4-tetrabromo-1,1,1,6,6,6-hexafluorohexane-2,5-dione
CID 170155777
1,1,1,3,3-pentafluorobutan-2-one
CID 21483509
1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;dihydrate
CID 157182838
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,11-henicosafluoro-10-oxoundecane-1-sulfonic acid
CID 163324060
1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one
CID 159576724
sulfurothioic O-acid;2,2,2-trifluoroacetic acid
CID 87348477
1,1-dibromo-1-chloro-3,3,3-trifluoropropan-2-one
CID 10171803

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one?
The IUPAC name of 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one (CID 178076277) is 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one?
The canonical SMILES for 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one is O=C(C(F)(F)F)C(F)(F)S(=O)(=O)C(F)(F)C(=O)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one?
The InChIKey is SOBDVBLKGAPYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O4S/c7-3(8,9)1(17)5(13,14)21(19,20)6(15,16)2(18)4(10,11)12.
What are the key properties of 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one?
1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one has a molecular weight of 358.11 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one is sourced from PubChem (CID 178076277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).