1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone

C10H10F2OS — CID 84681777

IUPAC1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1SCC(F)F
InChIInChI=1S/C10H10F2OS/c1-7(13)8-4-2-3-5-9(8)14-6-10(11)12/h2-5,10H,6H2,1H3
InChIKeyXFVACZRIUDHUIJ-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone

1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone (PubChem CID 84681777) has the molecular formula C10H10F2OS and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone
PubChem CID84681777
Molecular FormulaC10H10F2OS
Molecular Weight216.25 g/mol
Exact Mass216.04
IUPAC Name1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1SCC(F)F
InChIInChI=1S/C10H10F2OS/c1-7(13)8-4-2-3-5-9(8)14-6-10(11)12/h2-5,10H,6H2,1H3
InChIKeyXFVACZRIUDHUIJ-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,3-difluoropropylsulfanyl)phenyl]ethanone
CID 84693552
1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one
CID 84793683
S-(2-acetylphenyl) ethanethioate
CID 118319809
2-(2-methylpropylsulfanyl)benzoic acid
CID 4051770
2-amino-2-[2-(2,2-difluoroethylsulfanyl)phenyl]acetic acid
CID 84803321
1-[2-(1-phenylethylsulfanyl)phenyl]ethanone
CID 177481013
(2-acetylphenyl) thiocyanate
CID 12607081
1-(2-acetylphenyl)ethanone;methane
CID 158210616
2-(2-hydroxy-3-methoxypropyl)sulfanylbenzoic acid
CID 63929597
2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 100753352
2-(3-amino-2-methyl-3-oxopropyl)sulfanylbenzoic acid
CID 43311833
2-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-1-amine
CID 84794692

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone?
The IUPAC name of 1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone (CID 84681777) is 1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone is CC(=O)c1ccccc1SCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone?
The InChIKey is XFVACZRIUDHUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2OS/c1-7(13)8-4-2-3-5-9(8)14-6-10(11)12/h2-5,10H,6H2,1H3.
What are the key properties of 1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone?
1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone has a molecular weight of 216.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 84681777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).