2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

C18H24FNO3 — CID 91917976

IUPAC2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCOC1CCOC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C18H24FNO3/c1-22-16-5-10-23-18(13-16)6-8-20(9-7-18)17(21)12-14-3-2-4-15(19)11-14/h2-4,11,16H,5-10,12-13H2,1H3
InChIKeyNXCCMUTZKIRXSB-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 91917976) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
PubChem CID91917976
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCOC1CCOC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C18H24FNO3/c1-22-16-5-10-23-18(13-16)6-8-20(9-7-18)17(21)12-14-3-2-4-15(19)11-14/h2-4,11,16H,5-10,12-13H2,1H3
InChIKeyNXCCMUTZKIRXSB-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (CID 91917976) is 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is COC1CCOC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is NXCCMUTZKIRXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-22-16-5-10-23-18(13-16)6-8-20(9-7-18)17(21)12-14-3-2-4-15(19)11-14/h2-4,11,16H,5-10,12-13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 321.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 91917976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).