1-(2-fluoroethoxy)-2-methylsulfinylbenzene

C9H11FO2S — CID 15058620

IUPAC1-(2-fluoroethoxy)-2-methylsulfinylbenzene
SMILESCS(=O)c1ccccc1OCCF
InChIInChI=1S/C9H11FO2S/c1-13(11)9-5-3-2-4-8(9)12-7-6-10/h2-5H,6-7H2,1H3
InChIKeyPHZHVGAIGVUDRG-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.77
Rot. Bonds4

About 1-(2-fluoroethoxy)-2-methylsulfinylbenzene

1-(2-fluoroethoxy)-2-methylsulfinylbenzene (PubChem CID 15058620) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-2-methylsulfinylbenzene.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-2-methylsulfinylbenzene
PubChem CID15058620
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Name1-(2-fluoroethoxy)-2-methylsulfinylbenzene
SMILESCS(=O)c1ccccc1OCCF
InChIInChI=1S/C9H11FO2S/c1-13(11)9-5-3-2-4-8(9)12-7-6-10/h2-5H,6-7H2,1H3
InChIKeyPHZHVGAIGVUDRG-UHFFFAOYSA-N
XLogP1.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)-2-methylsulfinylbenzene?
The IUPAC name of 1-(2-fluoroethoxy)-2-methylsulfinylbenzene (CID 15058620) is 1-(2-fluoroethoxy)-2-methylsulfinylbenzene.
What is the SMILES notation for 1-(2-fluoroethoxy)-2-methylsulfinylbenzene?
The canonical SMILES for 1-(2-fluoroethoxy)-2-methylsulfinylbenzene is CS(=O)c1ccccc1OCCF.
What is the InChIKey of 1-(2-fluoroethoxy)-2-methylsulfinylbenzene?
The InChIKey is PHZHVGAIGVUDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-13(11)9-5-3-2-4-8(9)12-7-6-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-fluoroethoxy)-2-methylsulfinylbenzene?
1-(2-fluoroethoxy)-2-methylsulfinylbenzene has a molecular weight of 202.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-2-methylsulfinylbenzene is sourced from PubChem (CID 15058620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).