1-fluoro-2-(methoxymethylsulfinyl)benzene

C8H9FO2S — CID 65364545

IUPAC1-fluoro-2-(methoxymethylsulfinyl)benzene
SMILESCOCS(=O)c1ccccc1F
InChIInChI=1S/C8H9FO2S/c1-11-6-12(10)8-5-3-2-4-7(8)9/h2-5H,6H2,1H3
InChIKeyXSNFCFUNOXVVHA-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.54
Rot. Bonds3

About 1-fluoro-2-(methoxymethylsulfinyl)benzene

1-fluoro-2-(methoxymethylsulfinyl)benzene (PubChem CID 65364545) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-fluoro-2-(methoxymethylsulfinyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(methoxymethylsulfinyl)benzene
PubChem CID65364545
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name1-fluoro-2-(methoxymethylsulfinyl)benzene
SMILESCOCS(=O)c1ccccc1F
InChIInChI=1S/C8H9FO2S/c1-11-6-12(10)8-5-3-2-4-7(8)9/h2-5H,6H2,1H3
InChIKeyXSNFCFUNOXVVHA-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene
CID 63791578
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CID 64658337
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CID 81155330
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(methoxymethylsulfinyl)benzene?
The IUPAC name of 1-fluoro-2-(methoxymethylsulfinyl)benzene (CID 65364545) is 1-fluoro-2-(methoxymethylsulfinyl)benzene.
What is the SMILES notation for 1-fluoro-2-(methoxymethylsulfinyl)benzene?
The canonical SMILES for 1-fluoro-2-(methoxymethylsulfinyl)benzene is COCS(=O)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-(methoxymethylsulfinyl)benzene?
The InChIKey is XSNFCFUNOXVVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-11-6-12(10)8-5-3-2-4-7(8)9/h2-5H,6H2,1H3.
What are the key properties of 1-fluoro-2-(methoxymethylsulfinyl)benzene?
1-fluoro-2-(methoxymethylsulfinyl)benzene has a molecular weight of 188.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(methoxymethylsulfinyl)benzene is sourced from PubChem (CID 65364545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).