1-(fluoromethylsulfonyl)-3-methoxybenzene

C8H9FO3S — CID 84721809

IUPAC1-(fluoromethylsulfonyl)-3-methoxybenzene
SMILESCOc1cccc(S(=O)(=O)CF)c1
InChIInChI=1S/C8H9FO3S/c1-12-7-3-2-4-8(5-7)13(10,11)6-9/h2-5H,6H2,1H3
InChIKeyCZFKJMPWHIIVLY-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.40
Rot. Bonds3

About 1-(fluoromethylsulfonyl)-3-methoxybenzene

1-(fluoromethylsulfonyl)-3-methoxybenzene (PubChem CID 84721809) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(fluoromethylsulfonyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(fluoromethylsulfonyl)-3-methoxybenzene
PubChem CID84721809
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name1-(fluoromethylsulfonyl)-3-methoxybenzene
SMILESCOc1cccc(S(=O)(=O)CF)c1
InChIInChI=1S/C8H9FO3S/c1-12-7-3-2-4-8(5-7)13(10,11)6-9/h2-5H,6H2,1H3
InChIKeyCZFKJMPWHIIVLY-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

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3-methoxybenzenesulfonamide;hydrochloride
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3-[(3-methoxyphenyl)sulfonylmethyl]aniline
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1-(3,3-diethoxypropylsulfonyl)-3-methoxybenzene
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1-(diazomethylsulfonyl)-3-methoxybenzene
CID 141438234
CID 172849383
CID 172849383
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
1-[[1-(bromomethyl)cyclobutyl]methylsulfonyl]-3-methoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfonyl)-3-methoxybenzene?
The IUPAC name of 1-(fluoromethylsulfonyl)-3-methoxybenzene (CID 84721809) is 1-(fluoromethylsulfonyl)-3-methoxybenzene.
What is the SMILES notation for 1-(fluoromethylsulfonyl)-3-methoxybenzene?
The canonical SMILES for 1-(fluoromethylsulfonyl)-3-methoxybenzene is COc1cccc(S(=O)(=O)CF)c1.
What is the InChIKey of 1-(fluoromethylsulfonyl)-3-methoxybenzene?
The InChIKey is CZFKJMPWHIIVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-12-7-3-2-4-8(5-7)13(10,11)6-9/h2-5H,6H2,1H3.
What are the key properties of 1-(fluoromethylsulfonyl)-3-methoxybenzene?
1-(fluoromethylsulfonyl)-3-methoxybenzene 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-(fluoromethylsulfonyl)-3-methoxybenzene is sourced from PubChem (CID 84721809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).