4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane

C15H18BrFO3 — CID 114672924

IUPAC4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
SMILESFc1ccc(Br)cc1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H18BrFO3/c16-11-1-2-13(17)14(9-11)20-12-3-6-19-15(10-12)4-7-18-8-5-15/h1-2,9,12H,3-8,10H2
InChIKeyMKQVOUKJANNHCM-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.70
Rot. Bonds2

About 4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane

4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane (PubChem CID 114672924) has the molecular formula C15H18BrFO3 and a molecular weight of 345.21 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
PubChem CID114672924
Molecular FormulaC15H18BrFO3
Molecular Weight345.21 g/mol
Exact Mass344.04
IUPAC Name4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
SMILESFc1ccc(Br)cc1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H18BrFO3/c16-11-1-2-13(17)14(9-11)20-12-3-6-19-15(10-12)4-7-18-8-5-15/h1-2,9,12H,3-8,10H2
InChIKeyMKQVOUKJANNHCM-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904366
3-(5-bromo-2-fluorophenoxy)oxolane
CID 114672573
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol
CID 107690992
4-[2-(bromomethyl)-4-fluorophenoxy]-1,9-dioxaspiro[5.5]undecane
CID 107699038
9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
CID 83231233
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
CID 114415938
1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 102946379

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane (CID 114672924) is 4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane is Fc1ccc(Br)cc1OC1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane?
The InChIKey is MKQVOUKJANNHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFO3/c16-11-1-2-13(17)14(9-11)20-12-3-6-19-15(10-12)4-7-18-8-5-15/h1-2,9,12H,3-8,10H2.
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane?
4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane has a molecular weight of 345.21 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane is sourced from PubChem (CID 114672924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).