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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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).