8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane

C15H18BrFO3S — CID 90748146

IUPAC8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Br)cc1F)C1CCC2(CCCO2)CC1
InChIInChI=1S/C15H18BrFO3S/c16-11-2-3-14(13(17)10-11)21(18,19)12-4-7-15(8-5-12)6-1-9-20-15/h2-3,10,12H,1,4-9H2
InChIKeyJIYITRWJUXLLDB-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.85
Rot. Bonds2

About 8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane

8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane (PubChem CID 90748146) has the molecular formula C15H18BrFO3S and a molecular weight of 377.28 g/mol. Its IUPAC name is 8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane
PubChem CID90748146
Molecular FormulaC15H18BrFO3S
Molecular Weight377.28 g/mol
Exact Mass376.01
IUPAC Name8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Br)cc1F)C1CCC2(CCCO2)CC1
InChIInChI=1S/C15H18BrFO3S/c16-11-2-3-14(13(17)10-11)21(18,19)12-4-7-15(8-5-12)6-1-9-20-15/h2-3,10,12H,1,4-9H2
InChIKeyJIYITRWJUXLLDB-UHFFFAOYSA-N
XLogP3.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Bromo-3-fluorophenyl)sulfonylmethyl]cyclohexan-1-ol
CID 58344274
8-[(4-Bromo-3-fluorophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane
CID 146397700
4-[(4-Bromo-2-fluorophenyl)sulfonylmethyl]oxane
CID 156684428
4-[(4-Bromo-3-fluorophenyl)sulfonylmethyl]oxane
CID 156684436
4-[(4-Bromo-2-fluorophenyl)sulfonylmethyl]-4-methyloxane
CID 156684484
2-[(2-Fluorophenyl)sulfonylmethyl]-1-oxaspiro[4.5]decane
CID 102901483
2-[(4-Fluorophenyl)sulfonylmethyl]-1-oxaspiro[4.5]decane
CID 102901486
2-[(3-Fluorophenyl)sulfonylmethyl]-1-oxaspiro[4.5]decane
CID 102901490
1-Bromo-4-[(4-methoxycyclohexyl)methylsulfonyl]benzene
CID 156339939
2-(4-Bromophenyl)sulfonyl-1-cyclohexylethanol
CID 106585004

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane?
The IUPAC name of 8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane (CID 90748146) is 8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane.
What is the SMILES notation for 8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane?
The canonical SMILES for 8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane is O=S(=O)(c1ccc(Br)cc1F)C1CCC2(CCCO2)CC1.
What is the InChIKey of 8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane?
The InChIKey is JIYITRWJUXLLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFO3S/c16-11-2-3-14(13(17)10-11)21(18,19)12-4-7-15(8-5-12)6-1-9-20-15/h2-3,10,12H,1,4-9H2.
What are the key properties of 8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane?
8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane has a molecular weight of 377.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromo-2-fluorophenyl)sulfonyl-1-oxaspiro[4.5]decane is sourced from PubChem (CID 90748146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).