difluoromethylsulfanylmethylbenzene

C8H8F2S — CID 11557371

IUPACdifluoromethylsulfanylmethylbenzene
SMILESFC(F)SCc1ccccc1
InChIInChI=1S/C8H8F2S/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyQMOWRNGLGDZHAF-UHFFFAOYSA-N
MW174.22 g/mol
LogP3.14
Rot. Bonds3

About difluoromethylsulfanylmethylbenzene

difluoromethylsulfanylmethylbenzene (PubChem CID 11557371) has the molecular formula C8H8F2S and a molecular weight of 174.22 g/mol. Its IUPAC name is difluoromethylsulfanylmethylbenzene.

Molecular Properties

Compound Namedifluoromethylsulfanylmethylbenzene
PubChem CID11557371
Molecular FormulaC8H8F2S
Molecular Weight174.22 g/mol
Exact Mass174.03
IUPAC Namedifluoromethylsulfanylmethylbenzene
SMILESFC(F)SCc1ccccc1
InChIInChI=1S/C8H8F2S/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyQMOWRNGLGDZHAF-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of difluoromethylsulfanylmethylbenzene?
The IUPAC name of difluoromethylsulfanylmethylbenzene (CID 11557371) is difluoromethylsulfanylmethylbenzene.
What is the SMILES notation for difluoromethylsulfanylmethylbenzene?
The canonical SMILES for difluoromethylsulfanylmethylbenzene is FC(F)SCc1ccccc1.
What is the InChIKey of difluoromethylsulfanylmethylbenzene?
The InChIKey is QMOWRNGLGDZHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2S/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of difluoromethylsulfanylmethylbenzene?
difluoromethylsulfanylmethylbenzene has a molecular weight of 174.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylsulfanylmethylbenzene is sourced from PubChem (CID 11557371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).