N,N-dibutyl-1,1-difluoroethanesulfonamide

C10H21F2NO2S — CID 58122764

IUPACN,N-dibutyl-1,1-difluoroethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)C(C)(F)F
InChIInChI=1S/C10H21F2NO2S/c1-4-6-8-13(9-7-5-2)16(14,15)10(3,11)12/h4-9H2,1-3H3
InChIKeyGMSVQDVUCQZIOG-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.83
Rot. Bonds8

About N,N-dibutyl-1,1-difluoroethanesulfonamide

N,N-dibutyl-1,1-difluoroethanesulfonamide (PubChem CID 58122764) has the molecular formula C10H21F2NO2S and a molecular weight of 257.35 g/mol. Its IUPAC name is N,N-dibutyl-1,1-difluoroethanesulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-1,1-difluoroethanesulfonamide
PubChem CID58122764
Molecular FormulaC10H21F2NO2S
Molecular Weight257.35 g/mol
Exact Mass257.13
IUPAC NameN,N-dibutyl-1,1-difluoroethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)C(C)(F)F
InChIInChI=1S/C10H21F2NO2S/c1-4-6-8-13(9-7-5-2)16(14,15)10(3,11)12/h4-9H2,1-3H3
InChIKeyGMSVQDVUCQZIOG-UHFFFAOYSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.83
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-difluoroethanesulfonamide?
The IUPAC name of N,N-dibutyl-1,1-difluoroethanesulfonamide (CID 58122764) is N,N-dibutyl-1,1-difluoroethanesulfonamide.
What is the SMILES notation for N,N-dibutyl-1,1-difluoroethanesulfonamide?
The canonical SMILES for N,N-dibutyl-1,1-difluoroethanesulfonamide is CCCCN(CCCC)S(=O)(=O)C(C)(F)F.
What is the InChIKey of N,N-dibutyl-1,1-difluoroethanesulfonamide?
The InChIKey is GMSVQDVUCQZIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO2S/c1-4-6-8-13(9-7-5-2)16(14,15)10(3,11)12/h4-9H2,1-3H3.
What are the key properties of N,N-dibutyl-1,1-difluoroethanesulfonamide?
N,N-dibutyl-1,1-difluoroethanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.83, 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-difluoroethanesulfonamide is sourced from PubChem (CID 58122764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).