3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane

C15H19BrFNO2 — CID 102930076

IUPAC3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(COC2COC3(CCNCC3)C2)cc1Br
InChIInChI=1S/C15H19BrFNO2/c16-13-7-11(1-2-14(13)17)9-19-12-8-15(20-10-12)3-5-18-6-4-15/h1-2,7,12,18H,3-6,8-10H2
InChIKeyQABHSNKAOJRMSB-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.02
Rot. Bonds3

About 3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane

3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930076) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is 3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930076
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(COC2COC3(CCNCC3)C2)cc1Br
InChIInChI=1S/C15H19BrFNO2/c16-13-7-11(1-2-14(13)17)9-19-12-8-15(20-10-12)3-5-18-6-4-15/h1-2,7,12,18H,3-6,8-10H2
InChIKeyQABHSNKAOJRMSB-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxyphenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930200
3-[(2,5-dichlorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930132
4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
CID 86820394
(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 124938709
(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 97394988
4-[(3,4-difluorophenyl)methoxy]piperidine
CID 67355988
3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930085
3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 73439149
3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile
CID 102930597
2-bromo-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile
CID 107281588
(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97450673
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930090

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930076) is 3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane is Fc1ccc(COC2COC3(CCNCC3)C2)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QABHSNKAOJRMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c16-13-7-11(1-2-14(13)17)9-19-12-8-15(20-10-12)3-5-18-6-4-15/h1-2,7,12,18H,3-6,8-10H2.
What are the key properties of 3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 344.22 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).