1,1-difluoroethylsulfanylbenzene

C8H8F2S — CID 71669251

IUPAC1,1-difluoroethylsulfanylbenzene
SMILESCC(F)(F)Sc1ccccc1
InChIInChI=1S/C8H8F2S/c1-8(9,10)11-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyRUOSHLWHFHBUBX-UHFFFAOYSA-N
MW174.22 g/mol
LogP3.39
Rot. Bonds2

About 1,1-difluoroethylsulfanylbenzene

1,1-difluoroethylsulfanylbenzene (PubChem CID 71669251) has the molecular formula C8H8F2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1,1-difluoroethylsulfanylbenzene.

Molecular Properties

Compound Name1,1-difluoroethylsulfanylbenzene
PubChem CID71669251
Molecular FormulaC8H8F2S
Molecular Weight174.22 g/mol
Exact Mass174.03
IUPAC Name1,1-difluoroethylsulfanylbenzene
SMILESCC(F)(F)Sc1ccccc1
InChIInChI=1S/C8H8F2S/c1-8(9,10)11-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyRUOSHLWHFHBUBX-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethylsulfanylbenzene?
The IUPAC name of 1,1-difluoroethylsulfanylbenzene (CID 71669251) is 1,1-difluoroethylsulfanylbenzene.
What is the SMILES notation for 1,1-difluoroethylsulfanylbenzene?
The canonical SMILES for 1,1-difluoroethylsulfanylbenzene is CC(F)(F)Sc1ccccc1.
What is the InChIKey of 1,1-difluoroethylsulfanylbenzene?
The InChIKey is RUOSHLWHFHBUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2S/c1-8(9,10)11-7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 1,1-difluoroethylsulfanylbenzene?
1,1-difluoroethylsulfanylbenzene has a molecular weight of 174.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethylsulfanylbenzene is sourced from PubChem (CID 71669251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).