1-(fluoromethoxy)-3-methylsulfonylbenzene

C8H9FO3S — CID 68604841

IUPAC1-(fluoromethoxy)-3-methylsulfonylbenzene
SMILESCS(=O)(=O)c1cccc(OCF)c1
InChIInChI=1S/C8H9FO3S/c1-13(10,11)8-4-2-3-7(5-8)12-6-9/h2-5H,6H2,1H3
InChIKeyNYMZJTXBPJRRPS-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.40
Rot. Bonds3

About 1-(fluoromethoxy)-3-methylsulfonylbenzene

1-(fluoromethoxy)-3-methylsulfonylbenzene (PubChem CID 68604841) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(fluoromethoxy)-3-methylsulfonylbenzene.

Molecular Properties

Compound Name1-(fluoromethoxy)-3-methylsulfonylbenzene
PubChem CID68604841
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name1-(fluoromethoxy)-3-methylsulfonylbenzene
SMILESCS(=O)(=O)c1cccc(OCF)c1
InChIInChI=1S/C8H9FO3S/c1-13(10,11)8-4-2-3-7(5-8)12-6-9/h2-5H,6H2,1H3
InChIKeyNYMZJTXBPJRRPS-UHFFFAOYSA-N
XLogP1.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
1-(2,2-dimethoxyethoxy)-3-methylsulfonylbenzene
CID 66223828
2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
CID 60878036
6-(3-methylsulfonylphenoxy)hexan-1-ol
CID 107705404
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
CID 175231524
2-methyl-3-(3-methylsulfonylphenoxy)propanenitrile
CID 43806985
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918
1-cyclopropyl-2-(3-methylsulfonylphenoxy)ethanone
CID 63904019
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
2-methyl-3-(3-methylsulfonylphenoxy)propanethioamide
CID 43807014

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-3-methylsulfonylbenzene?
The IUPAC name of 1-(fluoromethoxy)-3-methylsulfonylbenzene (CID 68604841) is 1-(fluoromethoxy)-3-methylsulfonylbenzene.
What is the SMILES notation for 1-(fluoromethoxy)-3-methylsulfonylbenzene?
The canonical SMILES for 1-(fluoromethoxy)-3-methylsulfonylbenzene is CS(=O)(=O)c1cccc(OCF)c1.
What is the InChIKey of 1-(fluoromethoxy)-3-methylsulfonylbenzene?
The InChIKey is NYMZJTXBPJRRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-13(10,11)8-4-2-3-7(5-8)12-6-9/h2-5H,6H2,1H3.
What are the key properties of 1-(fluoromethoxy)-3-methylsulfonylbenzene?
1-(fluoromethoxy)-3-methylsulfonylbenzene has a molecular weight of 204.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-3-methylsulfonylbenzene is sourced from PubChem (CID 68604841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).