1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one

C11H12F2OS — CID 84793683

IUPAC1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccccc1SCC(F)F
InChIInChI=1S/C11H12F2OS/c1-8(14)6-9-4-2-3-5-10(9)15-7-11(12)13/h2-5,11H,6-7H2,1H3
InChIKeyTUNDBGUTCQBIRB-UHFFFAOYSA-N
MW230.28 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one

1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one (PubChem CID 84793683) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one
PubChem CID84793683
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccccc1SCC(F)F
InChIInChI=1S/C11H12F2OS/c1-8(14)6-9-4-2-3-5-10(9)15-7-11(12)13/h2-5,11H,6-7H2,1H3
InChIKeyTUNDBGUTCQBIRB-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,2-difluoroethylsulfanyl)phenyl]ethanone
CID 84681777
1-[2,3-bis(methylsulfanyl)phenyl]propan-2-one
CID 117325853
3-[2-(2,2-difluoroethylsulfanyl)phenyl]propanenitrile
CID 84791480
2-amino-2-[2-(2,2-difluoroethylsulfanyl)phenyl]acetic acid
CID 84803321
1-(2-cyclobutylsulfanylphenyl)propan-2-one
CID 84686139
3-methyl-1-[2-(2-oxopropyl)phenyl]butan-2-one
CID 138721805
1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118852546
1-[4-(difluoromethyl)-2-methylsulfanylphenyl]propan-2-one
CID 166641045
2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid
CID 84680363
2-[2-(2-oxopropyl)phenyl]acetamide
CID 174561343
1-[2-ethoxy-3-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640944
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]propan-2-one?
The IUPAC name of 1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one (CID 84793683) is 1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one?
The canonical SMILES for 1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one is CC(=O)Cc1ccccc1SCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one?
The InChIKey is TUNDBGUTCQBIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2OS/c1-8(14)6-9-4-2-3-5-10(9)15-7-11(12)13/h2-5,11H,6-7H2,1H3.
What are the key properties of 1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one?
1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one has a molecular weight of 230.28 g/mol, XLogP of 3.18, 5 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]propan-2-one is sourced from PubChem (CID 84793683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).