N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide

C6H12F3NO3S — CID 61354856

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c1-2-14(11,12)10-3-4-13-5-6(7,8)9/h10H,2-5H2,1H3
InChIKeyYNTUFBCMILODRI-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.50
Rot. Bonds6

About N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide (PubChem CID 61354856) has the molecular formula C6H12F3NO3S and a molecular weight of 235.23 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
PubChem CID61354856
Molecular FormulaC6H12F3NO3S
Molecular Weight235.23 g/mol
Exact Mass235.05
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c1-2-14(11,12)10-3-4-13-5-6(7,8)9/h10H,2-5H2,1H3
InChIKeyYNTUFBCMILODRI-UHFFFAOYSA-N
XLogP0.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide (CID 61354856) is N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The InChIKey is YNTUFBCMILODRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO3S/c1-2-14(11,12)10-3-4-13-5-6(7,8)9/h10H,2-5H2,1H3.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide has a molecular weight of 235.23 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide is sourced from PubChem (CID 61354856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).