2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide

C10H8F6N2O2S — CID 162545733

IUPAC2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide
SMILESCS(=O)(Cc1ccc(C(F)(F)F)nc1)=NC(=O)C(F)(F)F
InChIInChI=1S/C10H8F6N2O2S/c1-21(20,18-8(19)10(14,15)16)5-6-2-3-7(17-4-6)9(11,12)13/h2-4H,5H2,1H3
InChIKeyROLHAZUVTGXWNJ-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.79
Rot. Bonds2

About 2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide

2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide (PubChem CID 162545733) has the molecular formula C10H8F6N2O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide
PubChem CID162545733
Molecular FormulaC10H8F6N2O2S
Molecular Weight334.24 g/mol
Exact Mass334.02
IUPAC Name2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide
SMILESCS(=O)(Cc1ccc(C(F)(F)F)nc1)=NC(=O)C(F)(F)F
InChIInChI=1S/C10H8F6N2O2S/c1-21(20,18-8(19)10(14,15)16)5-6-2-3-7(17-4-6)9(11,12)13/h2-4H,5H2,1H3
InChIKeyROLHAZUVTGXWNJ-UHFFFAOYSA-N
XLogP2.79
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide (CID 162545733) is 2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide is CS(=O)(Cc1ccc(C(F)(F)F)nc1)=NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide?
The InChIKey is ROLHAZUVTGXWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O2S/c1-21(20,18-8(19)10(14,15)16)5-6-2-3-7(17-4-6)9(11,12)13/h2-4H,5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide?
2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide has a molecular weight of 334.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[methyl-oxo-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 162545733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).