9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one

C35H58F6O4S — CID 159179868

IUPAC9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC1(C)c2ccccc2-c2ccccc21.CCC.COC.CS(C)(=O)=O
InChIInChI=1S/C15H14.C5H6F6.C5H12.C3H6O.C3H8.C2H6O2S.C2H6O/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;1-3-2;1-5(2,3)4;1-3-2/h3-10H,1-2H3;1-2H3;1-4H3;1-2H3;3H2,1-2H3;1-2H3;1-2H3
InChIKeyKMTDIYRBAJGBSG-UHFFFAOYSA-N
MW688.90 g/mol
LogP11.12
Rot. Bonds

About 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one

9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one (PubChem CID 159179868) has the molecular formula C35H58F6O4S and a molecular weight of 688.90 g/mol. Its IUPAC name is 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one.

Molecular Properties

Compound Name9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one
PubChem CID159179868
Molecular FormulaC35H58F6O4S
Molecular Weight688.90 g/mol
Exact Mass688.40
IUPAC Name9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC1(C)c2ccccc2-c2ccccc21.CCC.COC.CS(C)(=O)=O
InChIInChI=1S/C15H14.C5H6F6.C5H12.C3H6O.C3H8.C2H6O2S.C2H6O/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;1-3-2;1-5(2,3)4;1-3-2/h3-10H,1-2H3;1-2H3;1-4H3;1-2H3;3H2,1-2H3;1-2H3;1-2H3
InChIKeyKMTDIYRBAJGBSG-UHFFFAOYSA-N
XLogP11.12
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.90
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one?
The IUPAC name of 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one (CID 159179868) is 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one.
What is the SMILES notation for 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one?
The canonical SMILES for 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one is CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC1(C)c2ccccc2-c2ccccc21.CCC.COC.CS(C)(=O)=O.
What is the InChIKey of 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one?
The InChIKey is KMTDIYRBAJGBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14.C5H6F6.C5H12.C3H6O.C3H8.C2H6O2S.C2H6O/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;1-3-2;1-5(2,3)4;1-3-2/h3-10H,1-2H3;1-2H3;1-4H3;1-2H3;3H2,1-2H3;1-2H3;1-2H3.
What are the key properties of 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one?
9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one has a molecular weight of 688.90 g/mol, XLogP of 11.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one is sourced from PubChem (CID 159179868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).