1,1-difluoro-N-propylmethanesulfonamide

C4H9F2NO2S — CID 43258994

IUPAC1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C4H9F2NO2S/c1-2-3-7-10(8,9)4(5)6/h4,7H,2-3H2,1H3
InChIKeyMVEUVBWJGIJRNF-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.54
Rot. Bonds4

About 1,1-difluoro-N-propylmethanesulfonamide

1,1-difluoro-N-propylmethanesulfonamide (PubChem CID 43258994) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is 1,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-propylmethanesulfonamide
PubChem CID43258994
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC Name1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C4H9F2NO2S/c1-2-3-7-10(8,9)4(5)6/h4,7H,2-3H2,1H3
InChIKeyMVEUVBWJGIJRNF-UHFFFAOYSA-N
XLogP0.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-propylmethanesulfonamide (CID 43258994) is 1,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-propylmethanesulfonamide is CCCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is MVEUVBWJGIJRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-2-3-7-10(8,9)4(5)6/h4,7H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-N-propylmethanesulfonamide?
1,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 43258994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).