1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone

C10H11F2NOS — CID 117334188

IUPAC1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C10H11F2NOS/c1-13-6-9(14)7-2-4-8(5-3-7)15-10(11)12/h2-5,10,13H,6H2,1H3
InChIKeyIWQAJLJFYKUSRA-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.40
Rot. Bonds5

About 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone

1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone (PubChem CID 117334188) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone
PubChem CID117334188
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C10H11F2NOS/c1-13-6-9(14)7-2-4-8(5-3-7)15-10(11)12/h2-5,10,13H,6H2,1H3
InChIKeyIWQAJLJFYKUSRA-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(methylamino)-1-(4-propan-2-ylsulfanylphenyl)ethanone
CID 96672644
1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone
CID 110825305
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 119221139
1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone
CID 117298432
4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide
CID 134055978
1-(3-bromo-4-methoxyphenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone
CID 110826068
4-(difluoromethylsulfanyl)-N-(3-hydroxybutyl)benzamide
CID 111429189
4-(difluoromethylsulfanyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119507253
1-[3,4-bis(methylsulfanyl)phenyl]-2-(methylamino)ethanone
CID 117355944
2-[[4-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 119225433
ethyl 2-[4-(difluoromethylsulfanyl)phenyl]-2-oxoacetate
CID 117404427
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249800

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone (CID 117334188) is 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccc(SC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is IWQAJLJFYKUSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c1-13-6-9(14)7-2-4-8(5-3-7)15-10(11)12/h2-5,10,13H,6H2,1H3.
What are the key properties of 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone?
1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 231.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117334188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).