1-fluoro-2-methyl-2-methylsulfonylpropane

C5H11FO2S — CID 87154527

IUPAC1-fluoro-2-methyl-2-methylsulfonylpropane
SMILESCC(C)(CF)S(C)(=O)=O
InChIInChI=1S/C5H11FO2S/c1-5(2,4-6)9(3,7)8/h4H2,1-3H3
InChIKeyBQHOTNMLLVLRLG-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.78
Rot. Bonds2

About 1-fluoro-2-methyl-2-methylsulfonylpropane

1-fluoro-2-methyl-2-methylsulfonylpropane (PubChem CID 87154527) has the molecular formula C5H11FO2S and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-fluoro-2-methyl-2-methylsulfonylpropane.

Molecular Properties

Compound Name1-fluoro-2-methyl-2-methylsulfonylpropane
PubChem CID87154527
Molecular FormulaC5H11FO2S
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Name1-fluoro-2-methyl-2-methylsulfonylpropane
SMILESCC(C)(CF)S(C)(=O)=O
InChIInChI=1S/C5H11FO2S/c1-5(2,4-6)9(3,7)8/h4H2,1-3H3
InChIKeyBQHOTNMLLVLRLG-UHFFFAOYSA-N
XLogP0.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methylsulphonyl)-2-methylpropane
CID 139685
2-(Ethylsulphonyl)-2-methylpropane
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2-(Fluoromethylsulfonyl)-2-methylpropane
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1-(Fluoromethylsulfonyl)butane
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2-Methyl-2-(2,2,2-trifluoroethylsulfonyl)propane
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2-Methyl-2-(trifluoromethylsulfonyl)propane
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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

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-2-methylsulfonylpropane?
The IUPAC name of 1-fluoro-2-methyl-2-methylsulfonylpropane (CID 87154527) is 1-fluoro-2-methyl-2-methylsulfonylpropane.
What is the SMILES notation for 1-fluoro-2-methyl-2-methylsulfonylpropane?
The canonical SMILES for 1-fluoro-2-methyl-2-methylsulfonylpropane is CC(C)(CF)S(C)(=O)=O.
What is the InChIKey of 1-fluoro-2-methyl-2-methylsulfonylpropane?
The InChIKey is BQHOTNMLLVLRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2S/c1-5(2,4-6)9(3,7)8/h4H2,1-3H3.
What are the key properties of 1-fluoro-2-methyl-2-methylsulfonylpropane?
1-fluoro-2-methyl-2-methylsulfonylpropane has a molecular weight of 154.21 g/mol, XLogP of 0.78, 2 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-methylsulfonylpropane is sourced from PubChem (CID 87154527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).