1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one

C17H38F6O2 — CID 160787315

IUPAC1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one
SMILESC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)=O.CCC.CCC.COC
InChIInChI=1S/C5H6F6.C3H6O.2C3H8.C2H6O.CH4/c1-3(2,4(6,7)8)5(9,10)11;1-3(2)4;3*1-3-2;/h1-2H3;1-2H3;2*3H2,1-2H3;1-2H3;1H4
InChIKeySBJLIJAQNJWJSL-UHFFFAOYSA-N
MW388.48 g/mol
LogP7.46
Rot. Bonds

About 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one

1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one (PubChem CID 160787315) has the molecular formula C17H38F6O2 and a molecular weight of 388.48 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one
PubChem CID160787315
Molecular FormulaC17H38F6O2
Molecular Weight388.48 g/mol
Exact Mass388.28
IUPAC Name1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one
SMILESC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)=O.CCC.CCC.COC
InChIInChI=1S/C5H6F6.C3H6O.2C3H8.C2H6O.CH4/c1-3(2,4(6,7)8)5(9,10)11;1-3(2)4;3*1-3-2;/h1-2H3;1-2H3;2*3H2,1-2H3;1-2H3;1H4
InChIKeySBJLIJAQNJWJSL-UHFFFAOYSA-N
XLogP7.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.48
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one (CID 160787315) is 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one is C.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)=O.CCC.CCC.COC.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one?
The InChIKey is SBJLIJAQNJWJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6.C3H6O.2C3H8.C2H6O.CH4/c1-3(2,4(6,7)8)5(9,10)11;1-3(2)4;3*1-3-2;/h1-2H3;1-2H3;2*3H2,1-2H3;1-2H3;1H4.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one?
1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one has a molecular weight of 388.48 g/mol, XLogP of 7.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one is sourced from PubChem (CID 160787315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).