N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide

C9H18F3NO2S — CID 89281546

IUPACN-butyl-2,2,2-trifluoro-N-propylethanesulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C9H18F3NO2S/c1-3-5-7-13(6-4-2)16(14,15)8-9(10,11)12/h3-8H2,1-2H3
InChIKeyWHNAFYXMIQUBLV-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.39
Rot. Bonds7

About N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide

N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide (PubChem CID 89281546) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-butyl-2,2,2-trifluoro-N-propylethanesulfonamide
PubChem CID89281546
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC NameN-butyl-2,2,2-trifluoro-N-propylethanesulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C9H18F3NO2S/c1-3-5-7-13(6-4-2)16(14,15)8-9(10,11)12/h3-8H2,1-2H3
InChIKeyWHNAFYXMIQUBLV-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide
CID 18736075
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CID 147263516
N,N-dipentylethanesulfonamide
CID 3453334
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 18735755
2,2,2-trifluoro-N-hydroxy-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 162606518
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
1-(2,2,2-trifluoroethylsulfonyl)butane
CID 13096090
N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
CID 18735834
1,1,1-trifluoro-N-hexadecyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87858970
N,N-dioctyldodecane-1-sulfonamide
CID 15510197

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide?
The IUPAC name of N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide (CID 89281546) is N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide.
What is the SMILES notation for N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide?
The canonical SMILES for N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide is CCCCN(CCC)S(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide?
The InChIKey is WHNAFYXMIQUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2S/c1-3-5-7-13(6-4-2)16(14,15)8-9(10,11)12/h3-8H2,1-2H3.
What are the key properties of N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide?
N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide has a molecular weight of 261.31 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide is sourced from PubChem (CID 89281546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).