1-fluorosulfonyloxy-2-(methoxymethyl)benzene

C8H9FO4S — CID 146049460

IUPAC1-fluorosulfonyloxy-2-(methoxymethyl)benzene
SMILESCOCc1ccccc1OS(=O)(=O)F
InChIInChI=1S/C8H9FO4S/c1-12-6-7-4-2-3-5-8(7)13-14(9,10)11/h2-5H,6H2,1H3
InChIKeyPTEWYCDGYYTAAS-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.43
Rot. Bonds4

About 1-fluorosulfonyloxy-2-(methoxymethyl)benzene

1-fluorosulfonyloxy-2-(methoxymethyl)benzene (PubChem CID 146049460) has the molecular formula C8H9FO4S and a molecular weight of 220.22 g/mol. Its IUPAC name is 1-fluorosulfonyloxy-2-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-fluorosulfonyloxy-2-(methoxymethyl)benzene
PubChem CID146049460
Molecular FormulaC8H9FO4S
Molecular Weight220.22 g/mol
Exact Mass220.02
IUPAC Name1-fluorosulfonyloxy-2-(methoxymethyl)benzene
SMILESCOCc1ccccc1OS(=O)(=O)F
InChIInChI=1S/C8H9FO4S/c1-12-6-7-4-2-3-5-8(7)13-14(9,10)11/h2-5H,6H2,1H3
InChIKeyPTEWYCDGYYTAAS-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene
CID 154879894
(2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid
CID 170899573
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
1-(methoxymethyl)-2-propan-2-yloxybenzene
CID 154665726
1-fluorosulfonyloxynaphthalene
CID 14897549
[2-(methoxymethyl)phenyl]methyl trifluoromethanesulfonate
CID 102621545
(2-ethylphenyl) ethanesulfonate
CID 141068945
2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride
CID 114827543
3-(2-methoxyphenyl)-2-oxopropane-1-sulfonyl fluoride
CID 115045814
1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene
CID 122679524
2-fluorosulfonyloxybenzoic acid
CID 130224552
N-[(2-methoxyphenyl)methoxy]methanamine
CID 105433405

Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfonyloxy-2-(methoxymethyl)benzene?
The IUPAC name of 1-fluorosulfonyloxy-2-(methoxymethyl)benzene (CID 146049460) is 1-fluorosulfonyloxy-2-(methoxymethyl)benzene.
What is the SMILES notation for 1-fluorosulfonyloxy-2-(methoxymethyl)benzene?
The canonical SMILES for 1-fluorosulfonyloxy-2-(methoxymethyl)benzene is COCc1ccccc1OS(=O)(=O)F.
What is the InChIKey of 1-fluorosulfonyloxy-2-(methoxymethyl)benzene?
The InChIKey is PTEWYCDGYYTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4S/c1-12-6-7-4-2-3-5-8(7)13-14(9,10)11/h2-5H,6H2,1H3.
What are the key properties of 1-fluorosulfonyloxy-2-(methoxymethyl)benzene?
1-fluorosulfonyloxy-2-(methoxymethyl)benzene has a molecular weight of 220.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonyloxy-2-(methoxymethyl)benzene is sourced from PubChem (CID 146049460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).