2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C10H8F2N2OS — CID 2321958

IUPAC2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C10H8F2N2OS/c11-10(12)16-8-3-1-7(2-4-8)14-9(15)5-6-13/h1-4,10H,5H2,(H,14,15)
InChIKeyLPJHGYHDEVGPTG-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.85
Rot. Bonds4

About 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 2321958) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID2321958
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C10H8F2N2OS/c11-10(12)16-8-3-1-7(2-4-8)14-9(15)5-6-13/h1-4,10H,5H2,(H,14,15)
InChIKeyLPJHGYHDEVGPTG-UHFFFAOYSA-N
XLogP2.85
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 2321958) is 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is N#CCC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is LPJHGYHDEVGPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c11-10(12)16-8-3-1-7(2-4-8)14-9(15)5-6-13/h1-4,10H,5H2,(H,14,15).
What are the key properties of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 242.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 2321958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).