2-(difluoromethylsulfonyl)propane

C4H8F2O2S — CID 58917784

IUPAC2-(difluoromethylsulfonyl)propane
SMILESCC(C)S(=O)(=O)C(F)F
InChIInChI=1S/C4H8F2O2S/c1-3(2)9(7,8)4(5)6/h3-4H,1-2H3
InChIKeyDTSUVYMMTAIMJN-UHFFFAOYSA-N
MW158.17 g/mol
LogP1.03
Rot. Bonds2

About 2-(difluoromethylsulfonyl)propane

2-(difluoromethylsulfonyl)propane (PubChem CID 58917784) has the molecular formula C4H8F2O2S and a molecular weight of 158.17 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)propane.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)propane
PubChem CID58917784
Molecular FormulaC4H8F2O2S
Molecular Weight158.17 g/mol
Exact Mass158.02
IUPAC Name2-(difluoromethylsulfonyl)propane
SMILESCC(C)S(=O)(=O)C(F)F
InChIInChI=1S/C4H8F2O2S/c1-3(2)9(7,8)4(5)6/h3-4H,1-2H3
InChIKeyDTSUVYMMTAIMJN-UHFFFAOYSA-N
XLogP1.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)propane?
The IUPAC name of 2-(difluoromethylsulfonyl)propane (CID 58917784) is 2-(difluoromethylsulfonyl)propane.
What is the SMILES notation for 2-(difluoromethylsulfonyl)propane?
The canonical SMILES for 2-(difluoromethylsulfonyl)propane is CC(C)S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)propane?
The InChIKey is DTSUVYMMTAIMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O2S/c1-3(2)9(7,8)4(5)6/h3-4H,1-2H3.
What are the key properties of 2-(difluoromethylsulfonyl)propane?
2-(difluoromethylsulfonyl)propane has a molecular weight of 158.17 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)propane is sourced from PubChem (CID 58917784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).