1-(difluoromethylsulfanyl)-4-methoxybenzene

C8H8F2OS — CID 12865381

IUPAC1-(difluoromethylsulfanyl)-4-methoxybenzene
SMILESCOc1ccc(SC(F)F)cc1
InChIInChI=1S/C8H8F2OS/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5,8H,1H3
InChIKeyWREMMFHMGDOVKX-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.01
Rot. Bonds3

About 1-(difluoromethylsulfanyl)-4-methoxybenzene

1-(difluoromethylsulfanyl)-4-methoxybenzene (PubChem CID 12865381) has the molecular formula C8H8F2OS and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)-4-methoxybenzene
PubChem CID12865381
Molecular FormulaC8H8F2OS
Molecular Weight190.21 g/mol
Exact Mass190.03
IUPAC Name1-(difluoromethylsulfanyl)-4-methoxybenzene
SMILESCOc1ccc(SC(F)F)cc1
InChIInChI=1S/C8H8F2OS/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5,8H,1H3
InChIKeyWREMMFHMGDOVKX-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)-4-methoxybenzene?
The IUPAC name of 1-(difluoromethylsulfanyl)-4-methoxybenzene (CID 12865381) is 1-(difluoromethylsulfanyl)-4-methoxybenzene.
What is the SMILES notation for 1-(difluoromethylsulfanyl)-4-methoxybenzene?
The canonical SMILES for 1-(difluoromethylsulfanyl)-4-methoxybenzene is COc1ccc(SC(F)F)cc1.
What is the InChIKey of 1-(difluoromethylsulfanyl)-4-methoxybenzene?
The InChIKey is WREMMFHMGDOVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2OS/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5,8H,1H3.
What are the key properties of 1-(difluoromethylsulfanyl)-4-methoxybenzene?
1-(difluoromethylsulfanyl)-4-methoxybenzene has a molecular weight of 190.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)-4-methoxybenzene is sourced from PubChem (CID 12865381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).