N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide

C10H10F3NOS — CID 87171874

IUPACN-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide
SMILESC/S(Cc1ccccc1)=N\C(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NOS/c1-16(14-9(15)10(11,12)13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyQJWXGASPIDPETA-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.71
Rot. Bonds2

About N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide

N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide (PubChem CID 87171874) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide
PubChem CID87171874
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC NameN-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide
SMILESC/S(Cc1ccccc1)=N\C(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NOS/c1-16(14-9(15)10(11,12)13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyQJWXGASPIDPETA-UHFFFAOYSA-N
XLogP2.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide (CID 87171874) is N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide is C/S(Cc1ccccc1)=N\C(=O)C(F)(F)F.
What is the InChIKey of N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide?
The InChIKey is QJWXGASPIDPETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c1-16(14-9(15)10(11,12)13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide?
N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide has a molecular weight of 249.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)-λ4-sulfanylidene]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87171874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).