2-fluoroethylsulfonylbenzene

C8H9FO2S — CID 66796542

IUPAC2-fluoroethylsulfonylbenzene
SMILESO=S(=O)(CCF)c1ccccc1
InChIInChI=1S/C8H9FO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyKSSCPGBAPDVQEE-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.43
Rot. Bonds3

About 2-fluoroethylsulfonylbenzene

2-fluoroethylsulfonylbenzene (PubChem CID 66796542) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-fluoroethylsulfonylbenzene.

Molecular Properties

Compound Name2-fluoroethylsulfonylbenzene
PubChem CID66796542
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name2-fluoroethylsulfonylbenzene
SMILESO=S(=O)(CCF)c1ccccc1
InChIInChI=1S/C8H9FO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyKSSCPGBAPDVQEE-UHFFFAOYSA-N
XLogP1.43
TPSA34.14 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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoroethylsulfonyl)phenol
CID 84672154
[3-(2-fluoroethylsulfonyl)phenyl]methanamine
CID 84682681
4-(benzenesulfonyl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 57180123
2-(2-fluoroethylsulfonyl)phenol
CID 84672153
4-bromobutylsulfonylbenzene
CID 11482789
2-(benzenesulfonyl)ethyl-chloromercury
CID 13270826
2-(benzenesulfonyl)ethylsulfanylbenzene
CID 737205
6-(benzenesulfonyl)hexane-1-sulfonic acid
CID 123592456
2-(benzenesulfonyl)-N-methylethanamine;hydrochloride
CID 155973548
2-(benzenesulfonyl)ethoxy-dimethylazanium
CID 173223937
1,4-bis[2-(benzenesulfonyl)ethyl]piperazine-1,4-diium
CID 7201585
5-(benzenesulfonyl)pentanal
CID 14120174

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethylsulfonylbenzene?
The IUPAC name of 2-fluoroethylsulfonylbenzene (CID 66796542) is 2-fluoroethylsulfonylbenzene.
What is the SMILES notation for 2-fluoroethylsulfonylbenzene?
The canonical SMILES for 2-fluoroethylsulfonylbenzene is O=S(=O)(CCF)c1ccccc1.
What is the InChIKey of 2-fluoroethylsulfonylbenzene?
The InChIKey is KSSCPGBAPDVQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-fluoroethylsulfonylbenzene?
2-fluoroethylsulfonylbenzene has a molecular weight of 188.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethylsulfonylbenzene is sourced from PubChem (CID 66796542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).