1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone

C10H10F2O2S — CID 47002466

IUPAC1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1SC(F)F
InChIInChI=1S/C10H10F2O2S/c1-6(13)7-3-4-9(15-10(11)12)8(5-7)14-2/h3-5,10H,1-2H3
InChIKeyZHKJETGPXFHCHV-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.21
Rot. Bonds4

About 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone

1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone (PubChem CID 47002466) has the molecular formula C10H10F2O2S and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone
PubChem CID47002466
Molecular FormulaC10H10F2O2S
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Name1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1SC(F)F
InChIInChI=1S/C10H10F2O2S/c1-6(13)7-3-4-9(15-10(11)12)8(5-7)14-2/h3-5,10H,1-2H3
InChIKeyZHKJETGPXFHCHV-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone 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 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone (CID 47002466) is 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1SC(F)F.
What is the InChIKey of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone?
The InChIKey is ZHKJETGPXFHCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2S/c1-6(13)7-3-4-9(15-10(11)12)8(5-7)14-2/h3-5,10H,1-2H3.
What are the key properties of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone?
1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone has a molecular weight of 232.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethanone is sourced from PubChem (CID 47002466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).