1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane

C8H12F6OS — CID 170273219

IUPAC1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane
SMILESCS(=O)C(C)(F)C(C)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C8H12F6OS/c1-5(9,7(3,11)16(4)15)6(2,10)8(12,13)14/h1-4H3
InChIKeyIWJIEASRGDXESK-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.07
Rot. Bonds3

About 1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane

1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane (PubChem CID 170273219) has the molecular formula C8H12F6OS and a molecular weight of 270.24 g/mol. Its IUPAC name is 1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane.

Molecular Properties

Compound Name1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane
PubChem CID170273219
Molecular FormulaC8H12F6OS
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane
SMILESCS(=O)C(C)(F)C(C)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C8H12F6OS/c1-5(9,7(3,11)16(4)15)6(2,10)8(12,13)14/h1-4H3
InChIKeyIWJIEASRGDXESK-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane?
The IUPAC name of 1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane (CID 170273219) is 1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane.
What is the SMILES notation for 1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane?
The canonical SMILES for 1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane is CS(=O)C(C)(F)C(C)(F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane?
The InChIKey is IWJIEASRGDXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6OS/c1-5(9,7(3,11)16(4)15)6(2,10)8(12,13)14/h1-4H3.
What are the key properties of 1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane?
1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane has a molecular weight of 270.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4-hexafluoro-2,3-dimethyl-4-methylsulfinylpentane is sourced from PubChem (CID 170273219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).