N,N-diethyl-1,1-difluoromethanesulfonamide

C5H11F2NO2S — CID 58436046

IUPACN,N-diethyl-1,1-difluoromethanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO2S/c1-3-8(4-2)11(9,10)5(6)7/h5H,3-4H2,1-2H3
InChIKeyCMPINWRIVRWZNS-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.88
Rot. Bonds4

About N,N-diethyl-1,1-difluoromethanesulfonamide

N,N-diethyl-1,1-difluoromethanesulfonamide (PubChem CID 58436046) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is N,N-diethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,1-difluoromethanesulfonamide
PubChem CID58436046
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC NameN,N-diethyl-1,1-difluoromethanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO2S/c1-3-8(4-2)11(9,10)5(6)7/h5H,3-4H2,1-2H3
InChIKeyCMPINWRIVRWZNS-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.88
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-difluoromethanesulfonamide?
The IUPAC name of N,N-diethyl-1,1-difluoromethanesulfonamide (CID 58436046) is N,N-diethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N,N-diethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N,N-diethyl-1,1-difluoromethanesulfonamide is CCN(CC)S(=O)(=O)C(F)F.
What is the InChIKey of N,N-diethyl-1,1-difluoromethanesulfonamide?
The InChIKey is CMPINWRIVRWZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-3-8(4-2)11(9,10)5(6)7/h5H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,1-difluoromethanesulfonamide?
N,N-diethyl-1,1-difluoromethanesulfonamide has a molecular weight of 187.21 g/mol, XLogP of 0.88, 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-difluoromethanesulfonamide is sourced from PubChem (CID 58436046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).