4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane

C15H18BrFO2S — CID 81332278

IUPAC4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane
SMILESFc1cc(Br)cc(OC2CCOC3(CCSCC3)C2)c1
InChIInChI=1S/C15H18BrFO2S/c16-11-7-12(17)9-14(8-11)19-13-1-4-18-15(10-13)2-5-20-6-3-15/h7-9,13H,1-6,10H2
InChIKeyJPGFWCVQHGURBA-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.41
Rot. Bonds2

About 4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane

4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane (PubChem CID 81332278) has the molecular formula C15H18BrFO2S and a molecular weight of 361.28 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane
PubChem CID81332278
Molecular FormulaC15H18BrFO2S
Molecular Weight361.28 g/mol
Exact Mass360.02
IUPAC Name4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane
SMILESFc1cc(Br)cc(OC2CCOC3(CCSCC3)C2)c1
InChIInChI=1S/C15H18BrFO2S/c16-11-7-12(17)9-14(8-11)19-13-1-4-18-15(10-13)2-5-20-6-3-15/h7-9,13H,1-6,10H2
InChIKeyJPGFWCVQHGURBA-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 103588032
[5-bromo-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899567
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057
9-(4-bromo-3,5-dimethylphenoxy)-6-oxaspiro[4.5]decane
CID 107723955
3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine
CID 81314759
[3-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 107665408
3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 81313648
5-bromo-4-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 103482994
1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 79899060
4-(3-bromo-5-fluorophenoxy)piperidine
CID 81332214
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane (CID 81332278) is 4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane is Fc1cc(Br)cc(OC2CCOC3(CCSCC3)C2)c1.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane?
The InChIKey is JPGFWCVQHGURBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFO2S/c16-11-7-12(17)9-14(8-11)19-13-1-4-18-15(10-13)2-5-20-6-3-15/h7-9,13H,1-6,10H2.
What are the key properties of 4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane?
4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane has a molecular weight of 361.28 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane is sourced from PubChem (CID 81332278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).