N,N-diethyl-1,1-difluoroethanesulfonamide

C6H13F2NO2S — CID 58122705

IUPACN,N-diethyl-1,1-difluoroethanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(C)(F)F
InChIInChI=1S/C6H13F2NO2S/c1-4-9(5-2)12(10,11)6(3,7)8/h4-5H2,1-3H3
InChIKeyWXXPXJIPBIHBSZ-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.27
Rot. Bonds4

About N,N-diethyl-1,1-difluoroethanesulfonamide

N,N-diethyl-1,1-difluoroethanesulfonamide (PubChem CID 58122705) has the molecular formula C6H13F2NO2S and a molecular weight of 201.24 g/mol. Its IUPAC name is N,N-diethyl-1,1-difluoroethanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,1-difluoroethanesulfonamide
PubChem CID58122705
Molecular FormulaC6H13F2NO2S
Molecular Weight201.24 g/mol
Exact Mass201.06
IUPAC NameN,N-diethyl-1,1-difluoroethanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(C)(F)F
InChIInChI=1S/C6H13F2NO2S/c1-4-9(5-2)12(10,11)6(3,7)8/h4-5H2,1-3H3
InChIKeyWXXPXJIPBIHBSZ-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-difluoroethanesulfonamide?
The IUPAC name of N,N-diethyl-1,1-difluoroethanesulfonamide (CID 58122705) is N,N-diethyl-1,1-difluoroethanesulfonamide.
What is the SMILES notation for N,N-diethyl-1,1-difluoroethanesulfonamide?
The canonical SMILES for N,N-diethyl-1,1-difluoroethanesulfonamide is CCN(CC)S(=O)(=O)C(C)(F)F.
What is the InChIKey of N,N-diethyl-1,1-difluoroethanesulfonamide?
The InChIKey is WXXPXJIPBIHBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO2S/c1-4-9(5-2)12(10,11)6(3,7)8/h4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1,1-difluoroethanesulfonamide?
N,N-diethyl-1,1-difluoroethanesulfonamide has a molecular weight of 201.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-difluoroethanesulfonamide is sourced from PubChem (CID 58122705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).