1-cyclobutylsulfonyl-3-fluorobenzene

C10H11FO2S — CID 141111892

IUPAC1-cyclobutylsulfonyl-3-fluorobenzene
SMILESO=S(=O)(c1cccc(F)c1)C1CCC1
InChIInChI=1S/C10H11FO2S/c11-8-3-1-6-10(7-8)14(12,13)9-4-2-5-9/h1,3,6-7,9H,2,4-5H2
InChIKeyVHRDLYDNDUVGTP-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.15
Rot. Bonds2

About 1-cyclobutylsulfonyl-3-fluorobenzene

1-cyclobutylsulfonyl-3-fluorobenzene (PubChem CID 141111892) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-cyclobutylsulfonyl-3-fluorobenzene.

Molecular Properties

Compound Name1-cyclobutylsulfonyl-3-fluorobenzene
PubChem CID141111892
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name1-cyclobutylsulfonyl-3-fluorobenzene
SMILESO=S(=O)(c1cccc(F)c1)C1CCC1
InChIInChI=1S/C10H11FO2S/c11-8-3-1-6-10(7-8)14(12,13)9-4-2-5-9/h1,3,6-7,9H,2,4-5H2
InChIKeyVHRDLYDNDUVGTP-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylsulfonyl-3-fluorobenzene?
The IUPAC name of 1-cyclobutylsulfonyl-3-fluorobenzene (CID 141111892) is 1-cyclobutylsulfonyl-3-fluorobenzene.
What is the SMILES notation for 1-cyclobutylsulfonyl-3-fluorobenzene?
The canonical SMILES for 1-cyclobutylsulfonyl-3-fluorobenzene is O=S(=O)(c1cccc(F)c1)C1CCC1.
What is the InChIKey of 1-cyclobutylsulfonyl-3-fluorobenzene?
The InChIKey is VHRDLYDNDUVGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c11-8-3-1-6-10(7-8)14(12,13)9-4-2-5-9/h1,3,6-7,9H,2,4-5H2.
What are the key properties of 1-cyclobutylsulfonyl-3-fluorobenzene?
1-cyclobutylsulfonyl-3-fluorobenzene has a molecular weight of 214.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylsulfonyl-3-fluorobenzene is sourced from PubChem (CID 141111892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).