1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide

C3F6O4S — CID 174432206

IUPAC1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide
SMILESO=C(C(F)(F)F)C(F)(F)F.O=S(=O)=O
InChIInChI=1S/C3F6O.O3S/c4-2(5,6)1(10)3(7,8)9;1-4(2)3
InChIKeyBSTLSRDZCLYXLU-UHFFFAOYSA-N
MW246.08 g/mol
LogP0.68
Rot. Bonds

About 1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide

1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide (PubChem CID 174432206) has the molecular formula C3F6O4S and a molecular weight of 246.08 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide
PubChem CID174432206
Molecular FormulaC3F6O4S
Molecular Weight246.08 g/mol
Exact Mass245.94
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide
SMILESO=C(C(F)(F)F)C(F)(F)F.O=S(=O)=O
InChIInChI=1S/C3F6O.O3S/c4-2(5,6)1(10)3(7,8)9;1-4(2)3
InChIKeyBSTLSRDZCLYXLU-UHFFFAOYSA-N
XLogP0.68
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one
CID 159576724
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
1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;dihydrate
CID 157182838
1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one
CID 178076277
1,1-dibromo-1-chloro-3,3,3-trifluoropropan-2-one
CID 10171803
sulfur trioxide;trimethyl(trifluoromethyl)silane
CID 90819170
1,1,1,3,3,5-hexafluoropentan-2-one
CID 174353448
copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate
CID 87233917
1,1,3,3,3-pentafluoro-2-oxopropane-1-sulfonyl chloride
CID 12559151

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide (CID 174432206) is 1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide is O=C(C(F)(F)F)C(F)(F)F.O=S(=O)=O.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide?
The InChIKey is BSTLSRDZCLYXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6O.O3S/c4-2(5,6)1(10)3(7,8)9;1-4(2)3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide?
1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide has a molecular weight of 246.08 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide is sourced from PubChem (CID 174432206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).