1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene

C9H10F2O2S — CID 10798945

IUPAC1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
SMILESCOCOc1c(F)cc(F)cc1SC
InChIInChI=1S/C9H10F2O2S/c1-12-5-13-9-7(11)3-6(10)4-8(9)14-2/h3-4H,5H2,1-2H3
InChIKeyZDMOEMTZBRZVDU-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.67
Rot. Bonds4

About 1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene

1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene (PubChem CID 10798945) has the molecular formula C9H10F2O2S and a molecular weight of 220.24 g/mol. Its IUPAC name is 1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
PubChem CID10798945
Molecular FormulaC9H10F2O2S
Molecular Weight220.24 g/mol
Exact Mass220.04
IUPAC Name1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
SMILESCOCOc1c(F)cc(F)cc1SC
InChIInChI=1S/C9H10F2O2S/c1-12-5-13-9-7(11)3-6(10)4-8(9)14-2/h3-4H,5H2,1-2H3
InChIKeyZDMOEMTZBRZVDU-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene?
The IUPAC name of 1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene (CID 10798945) is 1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene.
What is the SMILES notation for 1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene?
The canonical SMILES for 1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene is COCOc1c(F)cc(F)cc1SC.
What is the InChIKey of 1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene?
The InChIKey is ZDMOEMTZBRZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2S/c1-12-5-13-9-7(11)3-6(10)4-8(9)14-2/h3-4H,5H2,1-2H3.
What are the key properties of 1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene?
1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene has a molecular weight of 220.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene is sourced from PubChem (CID 10798945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).