2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane

C7H11F2NO2S — CID 130734542

IUPAC2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane
SMILESO=S(=O)(C(F)F)N1CCCC2CC21
InChIInChI=1S/C7H11F2NO2S/c8-7(9)13(11,12)10-3-1-2-5-4-6(5)10/h5-7H,1-4H2
InChIKeyOIOWLUOGOFXSIW-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.02
Rot. Bonds2

About 2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane

2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane (PubChem CID 130734542) has the molecular formula C7H11F2NO2S and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane
PubChem CID130734542
Molecular FormulaC7H11F2NO2S
Molecular Weight211.23 g/mol
Exact Mass211.05
IUPAC Name2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane
SMILESO=S(=O)(C(F)F)N1CCCC2CC21
InChIInChI=1S/C7H11F2NO2S/c8-7(9)13(11,12)10-3-1-2-5-4-6(5)10/h5-7H,1-4H2
InChIKeyOIOWLUOGOFXSIW-UHFFFAOYSA-N
XLogP1.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane?
The IUPAC name of 2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane (CID 130734542) is 2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for 2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane is O=S(=O)(C(F)F)N1CCCC2CC21.
What is the InChIKey of 2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane?
The InChIKey is OIOWLUOGOFXSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2S/c8-7(9)13(11,12)10-3-1-2-5-4-6(5)10/h5-7H,1-4H2.
What are the key properties of 2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane?
2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane has a molecular weight of 211.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 130734542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).