N,N-dibutyl-1,1-difluoromethanesulfonamide

C9H19F2NO2S — CID 58436038

IUPACN,N-dibutyl-1,1-difluoromethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)C(F)F
InChIInChI=1S/C9H19F2NO2S/c1-3-5-7-12(8-6-4-2)15(13,14)9(10)11/h9H,3-8H2,1-2H3
InChIKeyYDSRGNLJGLMNBK-UHFFFAOYSA-N
MW243.32 g/mol
LogP2.44
Rot. Bonds8

About N,N-dibutyl-1,1-difluoromethanesulfonamide

N,N-dibutyl-1,1-difluoromethanesulfonamide (PubChem CID 58436038) has the molecular formula C9H19F2NO2S and a molecular weight of 243.32 g/mol. Its IUPAC name is N,N-dibutyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-1,1-difluoromethanesulfonamide
PubChem CID58436038
Molecular FormulaC9H19F2NO2S
Molecular Weight243.32 g/mol
Exact Mass243.11
IUPAC NameN,N-dibutyl-1,1-difluoromethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)C(F)F
InChIInChI=1S/C9H19F2NO2S/c1-3-5-7-12(8-6-4-2)15(13,14)9(10)11/h9H,3-8H2,1-2H3
InChIKeyYDSRGNLJGLMNBK-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N,N-dibutyl-1,1-difluoromethanesulfonamide (CID 58436038) is N,N-dibutyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N,N-dibutyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N,N-dibutyl-1,1-difluoromethanesulfonamide is CCCCN(CCCC)S(=O)(=O)C(F)F.
What is the InChIKey of N,N-dibutyl-1,1-difluoromethanesulfonamide?
The InChIKey is YDSRGNLJGLMNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO2S/c1-3-5-7-12(8-6-4-2)15(13,14)9(10)11/h9H,3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-1,1-difluoromethanesulfonamide?
N,N-dibutyl-1,1-difluoromethanesulfonamide has a molecular weight of 243.32 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 58436038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).