N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide

C12H15F2NOS — CID 15152841

IUPACN,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide
SMILESCCN(CC)C(=O)C(F)(F)Sc1ccccc1
InChIInChI=1S/C12H15F2NOS/c1-3-15(4-2)11(16)12(13,14)17-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyAWXCASYPKHZPOO-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.24
Rot. Bonds5

About N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide

N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide (PubChem CID 15152841) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide
PubChem CID15152841
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC NameN,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide
SMILESCCN(CC)C(=O)C(F)(F)Sc1ccccc1
InChIInChI=1S/C12H15F2NOS/c1-3-15(4-2)11(16)12(13,14)17-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyAWXCASYPKHZPOO-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide?
The IUPAC name of N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide (CID 15152841) is N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide?
The canonical SMILES for N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide is CCN(CC)C(=O)C(F)(F)Sc1ccccc1.
What is the InChIKey of N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide?
The InChIKey is AWXCASYPKHZPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-3-15(4-2)11(16)12(13,14)17-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide?
N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide has a molecular weight of 259.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide is sourced from PubChem (CID 15152841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).