1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone

C15H12F2OS — CID 114934300

IUPAC1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone
SMILESCC(=O)c1cccc(SCc2c(F)cccc2F)c1
InChIInChI=1S/C15H12F2OS/c1-10(18)11-4-2-5-12(8-11)19-9-13-14(16)6-3-7-15(13)17/h2-8H,9H2,1H3
InChIKeyFFQORRMGXWFTNA-UHFFFAOYSA-N
MW278.32 g/mol
LogP4.46
Rot. Bonds4

About 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone

1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone (PubChem CID 114934300) has the molecular formula C15H12F2OS and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone
PubChem CID114934300
Molecular FormulaC15H12F2OS
Molecular Weight278.32 g/mol
Exact Mass278.06
IUPAC Name1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone
SMILESCC(=O)c1cccc(SCc2c(F)cccc2F)c1
InChIInChI=1S/C15H12F2OS/c1-10(18)11-4-2-5-12(8-11)19-9-13-14(16)6-3-7-15(13)17/h2-8H,9H2,1H3
InChIKeyFFQORRMGXWFTNA-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]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

1-[3-(3-fluoropropylsulfanyl)phenyl]ethanone
CID 81114648
1-[3-[(2,5-dimethylphenyl)methylsulfanyl]phenyl]ethanone
CID 64660488
1-(3-butylsulfanylphenyl)ethanone
CID 64663308
2-[(3-acetylphenyl)sulfanylmethyl]benzonitrile
CID 64660695
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanamine
CID 114934306
1-[3-(2-bromoprop-2-enylsulfanyl)phenyl]ethanone
CID 64661289
2-(3-acetylphenyl)sulfanyl-N-methylacetamide
CID 64660516
1-(3-but-2-ynylsulfanylphenyl)ethanone
CID 64661103
1-[3-(2-methylsulfonylethylsulfanyl)phenyl]ethanone
CID 64662700
1-(3-dodecylsulfanylphenyl)ethanone
CID 134942780
1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone
CID 64661704

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone (CID 114934300) is 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone is CC(=O)c1cccc(SCc2c(F)cccc2F)c1.
What is the InChIKey of 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone?
The InChIKey is FFQORRMGXWFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS/c1-10(18)11-4-2-5-12(8-11)19-9-13-14(16)6-3-7-15(13)17/h2-8H,9H2,1H3.
What are the key properties of 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone?
1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone has a molecular weight of 278.32 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone is sourced from PubChem (CID 114934300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).