1-(difluoromethoxy)-4-methylsulfanylbenzene

C8H8F2OS — CID 18435781

IUPAC1-(difluoromethoxy)-4-methylsulfanylbenzene
SMILESCSc1ccc(OC(F)F)cc1
InChIInChI=1S/C8H8F2OS/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5,8H,1H3
InChIKeyLHXBKGYNZLMGFH-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.01
Rot. Bonds3

About 1-(difluoromethoxy)-4-methylsulfanylbenzene

1-(difluoromethoxy)-4-methylsulfanylbenzene (PubChem CID 18435781) has the molecular formula C8H8F2OS and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-methylsulfanylbenzene
PubChem CID18435781
Molecular FormulaC8H8F2OS
Molecular Weight190.21 g/mol
Exact Mass190.03
IUPAC Name1-(difluoromethoxy)-4-methylsulfanylbenzene
SMILESCSc1ccc(OC(F)F)cc1
InChIInChI=1S/C8H8F2OS/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5,8H,1H3
InChIKeyLHXBKGYNZLMGFH-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-(difluoromethoxy)-4-methylsulfanylbenzene?
The IUPAC name of 1-(difluoromethoxy)-4-methylsulfanylbenzene (CID 18435781) is 1-(difluoromethoxy)-4-methylsulfanylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-methylsulfanylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-methylsulfanylbenzene is CSc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-methylsulfanylbenzene?
The InChIKey is LHXBKGYNZLMGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2OS/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5,8H,1H3.
What are the key properties of 1-(difluoromethoxy)-4-methylsulfanylbenzene?
1-(difluoromethoxy)-4-methylsulfanylbenzene 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-(difluoromethoxy)-4-methylsulfanylbenzene is sourced from PubChem (CID 18435781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).