(3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone

C21H20FNO2 — CID 156602722

IUPAC(3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCC2(CC(c3ccccc3)=CO2)C1
InChIInChI=1S/C21H20FNO2/c22-19-9-4-8-17(12-19)20(24)23-11-5-10-21(15-23)13-18(14-25-21)16-6-2-1-3-7-16/h1-4,6-9,12,14H,5,10-11,13,15H2
InChIKeyBUBNDFITKFFZOB-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.26
Rot. Bonds2

About (3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone

(3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone (PubChem CID 156602722) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
PubChem CID156602722
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name(3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCC2(CC(c3ccccc3)=CO2)C1
InChIInChI=1S/C21H20FNO2/c22-19-9-4-8-17(12-19)20(24)23-11-5-10-21(15-23)13-18(14-25-21)16-6-2-1-3-7-16/h1-4,6-9,12,14H,5,10-11,13,15H2
InChIKeyBUBNDFITKFFZOB-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone (CID 156602722) is (3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone is O=C(c1cccc(F)c1)N1CCCC2(CC(c3ccccc3)=CO2)C1.
What is the InChIKey of (3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone?
The InChIKey is BUBNDFITKFFZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c22-19-9-4-8-17(12-19)20(24)23-11-5-10-21(15-23)13-18(14-25-21)16-6-2-1-3-7-16/h1-4,6-9,12,14H,5,10-11,13,15H2.
What are the key properties of (3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone?
(3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone has a molecular weight of 337.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone is sourced from PubChem (CID 156602722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).