1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide

C3H3F6NO3S — CID 82714920

IUPAC1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide
SMILESO=S(=O)(NOCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6NO3S/c4-2(5,6)1-13-10-14(11,12)3(7,8)9/h10H,1H2
InChIKeyDALMTVKFTQXOGO-UHFFFAOYSA-N
MW247.12 g/mol
LogP0.92
Rot. Bonds3

About 1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide

1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide (PubChem CID 82714920) has the molecular formula C3H3F6NO3S and a molecular weight of 247.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide
PubChem CID82714920
Molecular FormulaC3H3F6NO3S
Molecular Weight247.12 g/mol
Exact Mass246.97
IUPAC Name1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide
SMILESO=S(=O)(NOCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6NO3S/c4-2(5,6)1-13-10-14(11,12)3(7,8)9/h10H,1H2
InChIKeyDALMTVKFTQXOGO-UHFFFAOYSA-N
XLogP0.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide (CID 82714920) is 1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide is O=S(=O)(NOCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
The InChIKey is DALMTVKFTQXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6NO3S/c4-2(5,6)1-13-10-14(11,12)3(7,8)9/h10H,1H2.
What are the key properties of 1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide has a molecular weight of 247.12 g/mol, XLogP of 0.92, 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-(2,2,2-trifluoroethoxy)methanesulfonamide is sourced from PubChem (CID 82714920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).