1-(difluoromethylsulfanyl)-4-methylbenzene

C8H8F2S — CID 13297815

IUPAC1-(difluoromethylsulfanyl)-4-methylbenzene
SMILESCc1ccc(SC(F)F)cc1
InChIInChI=1S/C8H8F2S/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3
InChIKeyZLOWVOYXPNBQEZ-UHFFFAOYSA-N
MW174.22 g/mol
LogP3.31
Rot. Bonds2

About 1-(difluoromethylsulfanyl)-4-methylbenzene

1-(difluoromethylsulfanyl)-4-methylbenzene (PubChem CID 13297815) has the molecular formula C8H8F2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)-4-methylbenzene
PubChem CID13297815
Molecular FormulaC8H8F2S
Molecular Weight174.22 g/mol
Exact Mass174.03
IUPAC Name1-(difluoromethylsulfanyl)-4-methylbenzene
SMILESCc1ccc(SC(F)F)cc1
InChIInChI=1S/C8H8F2S/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3
InChIKeyZLOWVOYXPNBQEZ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)-4-methylbenzene?
The IUPAC name of 1-(difluoromethylsulfanyl)-4-methylbenzene (CID 13297815) is 1-(difluoromethylsulfanyl)-4-methylbenzene.
What is the SMILES notation for 1-(difluoromethylsulfanyl)-4-methylbenzene?
The canonical SMILES for 1-(difluoromethylsulfanyl)-4-methylbenzene is Cc1ccc(SC(F)F)cc1.
What is the InChIKey of 1-(difluoromethylsulfanyl)-4-methylbenzene?
The InChIKey is ZLOWVOYXPNBQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2S/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3.
What are the key properties of 1-(difluoromethylsulfanyl)-4-methylbenzene?
1-(difluoromethylsulfanyl)-4-methylbenzene has a molecular weight of 174.22 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)-4-methylbenzene is sourced from PubChem (CID 13297815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).