1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide

C4H8F3NO3S — CID 135029494

IUPAC1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide
SMILESCO[C@H](C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-3(11-2)8-12(9,10)4(5,6)7/h3,8H,1-2H3/t3-/m1/s1
InChIKeyFOAGYFIKYZEMLC-GSVOUGTGSA-N
MW207.17 g/mol
LogP0.42
Rot. Bonds3

About 1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide

1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide (PubChem CID 135029494) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide
PubChem CID135029494
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC Name1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide
SMILESCO[C@H](C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-3(11-2)8-12(9,10)4(5,6)7/h3,8H,1-2H3/t3-/m1/s1
InChIKeyFOAGYFIKYZEMLC-GSVOUGTGSA-N
XLogP0.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide (CID 135029494) is 1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide is CO[C@H](C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide?
The InChIKey is FOAGYFIKYZEMLC-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8F3NO3S/c1-3(11-2)8-12(9,10)4(5,6)7/h3,8H,1-2H3/t3-/m1/s1.
What are the key properties of 1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide?
1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide has a molecular weight of 207.17 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide is sourced from PubChem (CID 135029494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).