2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone

C10H9F3OS — CID 10220288

IUPAC2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone
SMILESCCSC(F)(F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H9F3OS/c1-2-15-10(12,13)9(14)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChIKeyZZWXYJMNOCLCRS-UHFFFAOYSA-N
MW234.24 g/mol
LogP3.35
Rot. Bonds4

About 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone

2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone (PubChem CID 10220288) has the molecular formula C10H9F3OS and a molecular weight of 234.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone
PubChem CID10220288
Molecular FormulaC10H9F3OS
Molecular Weight234.24 g/mol
Exact Mass234.03
IUPAC Name2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone
SMILESCCSC(F)(F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H9F3OS/c1-2-15-10(12,13)9(14)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChIKeyZZWXYJMNOCLCRS-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)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-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one
CID 116592648
2-(ethylamino)-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 116566054
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175
2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one
CID 116747607
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
2,2-diamino-3-ethyl-1,4-bis(4-fluorophenyl)butane-1,4-dione
CID 141384133
ethyl 3-(4-fluorophenyl)-2,2-dihydroxy-3-oxopropanoate
CID 171482605
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
[(2S)-1-(4-fluorophenyl)-1-oxobutan-2-yl]azanium
CID 6940475
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
(2-fluoro-2-methylpropyl) 4-fluorobenzoate
CID 146162315
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone (CID 10220288) is 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone is CCSC(F)(F)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone?
The InChIKey is ZZWXYJMNOCLCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3OS/c1-2-15-10(12,13)9(14)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone?
2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone has a molecular weight of 234.24 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 10220288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).