2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone

C9H9F2NOS — CID 117309153

IUPAC2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone
SMILESNCC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C9H9F2NOS/c10-9(11)14-8-4-2-1-3-6(8)7(13)5-12/h1-4,9H,5,12H2
InChIKeyZAXNIIIWALFEHH-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.14
Rot. Bonds4

About 2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone

2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone (PubChem CID 117309153) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone
PubChem CID117309153
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC Name2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone
SMILESNCC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C9H9F2NOS/c10-9(11)14-8-4-2-1-3-6(8)7(13)5-12/h1-4,9H,5,12H2
InChIKeyZAXNIIIWALFEHH-UHFFFAOYSA-N
XLogP2.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(trifluoromethylsulfanyl)phenyl]ethanone
CID 170860575
N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119382897
2-[(2-amino-2-oxoethyl)-[2-(difluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 107434815
2-[[2-(difluoromethylsulfanyl)benzoyl]-methylamino]acetic acid
CID 43239805
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913
ethyl 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]acetate
CID 60816131
N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide
CID 115594443
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanedioic acid
CID 78910261
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 43387400
N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide
CID 104857627
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-3-hydroxybutanoic acid
CID 43238819
(2R)-2-[[2-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 54990748

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone (CID 117309153) is 2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone is NCC(=O)c1ccccc1SC(F)F.
What is the InChIKey of 2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone?
The InChIKey is ZAXNIIIWALFEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NOS/c10-9(11)14-8-4-2-1-3-6(8)7(13)5-12/h1-4,9H,5,12H2.
What are the key properties of 2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone?
2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone has a molecular weight of 217.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 117309153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).