N-[2-(trifluoromethoxy)ethyl]methanesulfonamide

C4H8F3NO3S — CID 87444120

IUPACN-[2-(trifluoromethoxy)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOC(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-12(9,10)8-2-3-11-4(5,6)7/h8H,2-3H2,1H3
InChIKeyFJUNCXLHOJNNAU-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.07
Rot. Bonds4

About N-[2-(trifluoromethoxy)ethyl]methanesulfonamide

N-[2-(trifluoromethoxy)ethyl]methanesulfonamide (PubChem CID 87444120) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)ethyl]methanesulfonamide
PubChem CID87444120
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC NameN-[2-(trifluoromethoxy)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOC(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-12(9,10)8-2-3-11-4(5,6)7/h8H,2-3H2,1H3
InChIKeyFJUNCXLHOJNNAU-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.07
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-[(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
1,1,1-trifluoro-N-[2-(2-methoxyethoxy)ethyl]methanesulfonamide
CID 89694359
1,1,1-trifluoro-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 117860227
N-[2-(1-fluoropropan-2-yloxy)ethyl]methanesulfonamide
CID 121481068

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(trifluoromethoxy)ethyl]methanesulfonamide (CID 87444120) is N-[2-(trifluoromethoxy)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(trifluoromethoxy)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(trifluoromethoxy)ethyl]methanesulfonamide is CS(=O)(=O)NCCOC(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethoxy)ethyl]methanesulfonamide?
The InChIKey is FJUNCXLHOJNNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO3S/c1-12(9,10)8-2-3-11-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of N-[2-(trifluoromethoxy)ethyl]methanesulfonamide?
N-[2-(trifluoromethoxy)ethyl]methanesulfonamide has a molecular weight of 207.17 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 87444120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).