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

C5H10F3NO3S — CID 60729144

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-13(10,11)9-2-3-12-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyKLXWCOFEUDLGIA-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.11
Rot. Bonds5

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide (PubChem CID 60729144) has the molecular formula C5H10F3NO3S and a molecular weight of 221.20 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
PubChem CID60729144
Molecular FormulaC5H10F3NO3S
Molecular Weight221.20 g/mol
Exact Mass221.03
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-13(10,11)9-2-3-12-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyKLXWCOFEUDLGIA-UHFFFAOYSA-N
XLogP0.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.11
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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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-methoxyethyl)-1-butanesulfonamide
CID 85816085
N-(2-methoxyethyl)methanesulfonamide
CID 3522477
N-(2-methoxyethyl) ammonium bis(trifluoromethanesulfonyl)amide
CID 129822540
1,1,1-trifluoro-N-(1-propoxypropyl)methanesulfonamide
CID 101579228
1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide
CID 135029494
1,1,1-trifluoro-N-(1-methoxybutan-2-yl)methanesulfonamide
CID 166446329
N-(3-Methoxypropyl)trifluoromethanesulfonamide
CID 15859447
1,1,1-Trifluoro-N-(2-methoxyethyl)methanesulfonamide
CID 20571257
1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide
CID 58419559
2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide
CID 59512207
N-[2-(trifluoromethoxy)ethyl]methanesulfonamide
CID 87444120
1,1,1-trifluoro-N-[2-(2-methoxyethoxy)ethyl]methanesulfonamide
CID 89694359

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide (CID 60729144) is N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide is CS(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
The InChIKey is KLXWCOFEUDLGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-13(10,11)9-2-3-12-4-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide has a molecular weight of 221.20 g/mol, XLogP of 0.11, 5 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]methanesulfonamide is sourced from PubChem (CID 60729144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).