1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide

C4H8F3NO2S — CID 170121334

IUPAC1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide
SMILESCOCCNS(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-10-3-2-8-11(9)4(5,6)7/h8H,2-3H2,1H3
InChIKeyIUFRULQBFOBMPN-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.41
Rot. Bonds4

About 1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide

1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide (PubChem CID 170121334) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide
PubChem CID170121334
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC Name1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide
SMILESCOCCNS(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-10-3-2-8-11(9)4(5,6)7/h8H,2-3H2,1H3
InChIKeyIUFRULQBFOBMPN-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide (CID 170121334) is 1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide is COCCNS(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide?
The InChIKey is IUFRULQBFOBMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-10-3-2-8-11(9)4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide?
1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide has a molecular weight of 191.17 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide is sourced from PubChem (CID 170121334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).