1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane

C8H17FO2S — CID 58814885

IUPAC1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane
SMILESCC(C)CS(=O)(=O)C(C)(C)CF
InChIInChI=1S/C8H17FO2S/c1-7(2)5-12(10,11)8(3,4)6-9/h7H,5-6H2,1-4H3
InChIKeyIGFOUDBSQKEXOM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.81
Rot. Bonds4

About 1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane

1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane (PubChem CID 58814885) has the molecular formula C8H17FO2S and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane.

Molecular Properties

Compound Name1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane
PubChem CID58814885
Molecular FormulaC8H17FO2S
Molecular Weight196.29 g/mol
Exact Mass196.09
IUPAC Name1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane
SMILESCC(C)CS(=O)(=O)C(C)(C)CF
InChIInChI=1S/C8H17FO2S/c1-7(2)5-12(10,11)8(3,4)6-9/h7H,5-6H2,1-4H3
InChIKeyIGFOUDBSQKEXOM-UHFFFAOYSA-N
XLogP1.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane?
The IUPAC name of 1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane (CID 58814885) is 1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane.
What is the SMILES notation for 1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane?
The canonical SMILES for 1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane is CC(C)CS(=O)(=O)C(C)(C)CF.
What is the InChIKey of 1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane?
The InChIKey is IGFOUDBSQKEXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO2S/c1-7(2)5-12(10,11)8(3,4)6-9/h7H,5-6H2,1-4H3.
What are the key properties of 1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane?
1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane has a molecular weight of 196.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane is sourced from PubChem (CID 58814885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).