2-(fluoromethylsulfonyl)-2-methylpropane

C5H11FO2S — CID 13440979

IUPAC2-(fluoromethylsulfonyl)-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)CF
InChIInChI=1S/C5H11FO2S/c1-5(2,3)9(7,8)4-6/h4H2,1-3H3
InChIKeyIDCKOLGJSSBSSM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.13
Rot. Bonds1

About 2-(fluoromethylsulfonyl)-2-methylpropane

2-(fluoromethylsulfonyl)-2-methylpropane (PubChem CID 13440979) has the molecular formula C5H11FO2S and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(fluoromethylsulfonyl)-2-methylpropane.

Molecular Properties

Compound Name2-(fluoromethylsulfonyl)-2-methylpropane
PubChem CID13440979
Molecular FormulaC5H11FO2S
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Name2-(fluoromethylsulfonyl)-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)CF
InChIInChI=1S/C5H11FO2S/c1-5(2,3)9(7,8)4-6/h4H2,1-3H3
InChIKeyIDCKOLGJSSBSSM-UHFFFAOYSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(fluoromethylsulfonyl)-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Methylsulphonyl)-2-methylpropane
CID 139685
2-(Ethylsulphonyl)-2-methylpropane
CID 141865
2-Fluoro-2-methylpropane-1-sulfonyl chloride
CID 126688674
1-(Fluoromethylsulfonyl)butane
CID 18991893
2-Methyl-2-(2,2,2-trifluoroethylsulfonyl)propane
CID 22958646
2-Methyl-2-(trifluoromethylsulfonyl)propane
CID 23615104
1-Ethylsulfonyl-2-fluoroethane
CID 54066356
2-(Difluoromethylsulfonyl)propane
CID 58917784
2-(Fluoromethylsulfonyl)propane
CID 58917788
1-Ethylsulfonyl-3-fluoropropane
CID 59155197
2-(1,1-Difluoroethylsulfonyl)-2-methylpropane
CID 59677436
1-Fluoro-3-methylsulfonylpropane
CID 73059858

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfonyl)-2-methylpropane?
The IUPAC name of 2-(fluoromethylsulfonyl)-2-methylpropane (CID 13440979) is 2-(fluoromethylsulfonyl)-2-methylpropane.
What is the SMILES notation for 2-(fluoromethylsulfonyl)-2-methylpropane?
The canonical SMILES for 2-(fluoromethylsulfonyl)-2-methylpropane is CC(C)(C)S(=O)(=O)CF.
What is the InChIKey of 2-(fluoromethylsulfonyl)-2-methylpropane?
The InChIKey is IDCKOLGJSSBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2S/c1-5(2,3)9(7,8)4-6/h4H2,1-3H3.
What are the key properties of 2-(fluoromethylsulfonyl)-2-methylpropane?
2-(fluoromethylsulfonyl)-2-methylpropane has a molecular weight of 154.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfonyl)-2-methylpropane is sourced from PubChem (CID 13440979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).