N-(2,6-difluorophenyl)-2-sulfanylacetamide

C8H7F2NOS — CID 60650076

IUPACN-(2,6-difluorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1c(F)cccc1F
InChIInChI=1S/C8H7F2NOS/c9-5-2-1-3-6(10)8(5)11-7(12)4-13/h1-3,13H,4H2,(H,11,12)
InChIKeyAQIHIVVAKKFVIH-UHFFFAOYSA-N
MW203.21 g/mol
LogP1.83
Rot. Bonds2

About N-(2,6-difluorophenyl)-2-sulfanylacetamide

N-(2,6-difluorophenyl)-2-sulfanylacetamide (PubChem CID 60650076) has the molecular formula C8H7F2NOS and a molecular weight of 203.21 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-sulfanylacetamide
PubChem CID60650076
Molecular FormulaC8H7F2NOS
Molecular Weight203.21 g/mol
Exact Mass203.02
IUPAC NameN-(2,6-difluorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1c(F)cccc1F
InChIInChI=1S/C8H7F2NOS/c9-5-2-1-3-6(10)8(5)11-7(12)4-13/h1-3,13H,4H2,(H,11,12)
InChIKeyAQIHIVVAKKFVIH-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-sulfanylacetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-sulfanylacetamide (CID 60650076) is N-(2,6-difluorophenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-sulfanylacetamide is O=C(CS)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-sulfanylacetamide?
The InChIKey is AQIHIVVAKKFVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NOS/c9-5-2-1-3-6(10)8(5)11-7(12)4-13/h1-3,13H,4H2,(H,11,12).
What are the key properties of N-(2,6-difluorophenyl)-2-sulfanylacetamide?
N-(2,6-difluorophenyl)-2-sulfanylacetamide has a molecular weight of 203.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 60650076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).