N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

C9H18F3NO2S — CID 88872623

IUPACN-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCC(CC)CN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C9H18F3NO2S/c1-4-8(5-2)6-13(16(3,14)15)7-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyOLVZQVYCTZARIS-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.25
Rot. Bonds6

About N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 88872623) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID88872623
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC NameN-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCC(CC)CN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C9H18F3NO2S/c1-4-8(5-2)6-13(16(3,14)15)7-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyOLVZQVYCTZARIS-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methylsulphonamide, N-ethyl-N-3-methylbutyl-
CID 20735601
N,N-dibutyl-1,1,1-trifluoromethanesulfonamide
CID 17752786
N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
CID 58435992
N,N-dibutyl-1,1-difluoromethanesulfonamide
CID 58436038
N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573076
N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573607
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 60766791
1-Methylsulfonyl-4-(trifluoromethyl)piperidine
CID 65545889
4-Ethyl-1-(trifluoromethylsulfonyl)piperidine
CID 68261275
4-Methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 71114479
N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 89281471
N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
CID 89281475

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 88872623) is N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is CCC(CC)CN(CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is OLVZQVYCTZARIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2S/c1-4-8(5-2)6-13(16(3,14)15)7-9(10,11)12/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 261.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 88872623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).