2-(fluoromethylsulfonyl)propane

C4H9FO2S — CID 58917788

IUPAC2-(fluoromethylsulfonyl)propane
SMILESCC(C)S(=O)(=O)CF
InChIInChI=1S/C4H9FO2S/c1-4(2)8(6,7)3-5/h4H,3H2,1-2H3
InChIKeyFAODSSJNWVLADV-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.74
Rot. Bonds2

About 2-(fluoromethylsulfonyl)propane

2-(fluoromethylsulfonyl)propane (PubChem CID 58917788) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(fluoromethylsulfonyl)propane.

Molecular Properties

Compound Name2-(fluoromethylsulfonyl)propane
PubChem CID58917788
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Name2-(fluoromethylsulfonyl)propane
SMILESCC(C)S(=O)(=O)CF
InChIInChI=1S/C4H9FO2S/c1-4(2)8(6,7)3-5/h4H,3H2,1-2H3
InChIKeyFAODSSJNWVLADV-UHFFFAOYSA-N
XLogP0.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfonyl)propane?
The IUPAC name of 2-(fluoromethylsulfonyl)propane (CID 58917788) is 2-(fluoromethylsulfonyl)propane.
What is the SMILES notation for 2-(fluoromethylsulfonyl)propane?
The canonical SMILES for 2-(fluoromethylsulfonyl)propane is CC(C)S(=O)(=O)CF.
What is the InChIKey of 2-(fluoromethylsulfonyl)propane?
The InChIKey is FAODSSJNWVLADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-4(2)8(6,7)3-5/h4H,3H2,1-2H3.
What are the key properties of 2-(fluoromethylsulfonyl)propane?
2-(fluoromethylsulfonyl)propane has a molecular weight of 140.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfonyl)propane is sourced from PubChem (CID 58917788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).