[(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone

C18H18FNO4 — CID 155996729

IUPAC[(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1
InChIInChI=1S/C18H18FNO4/c19-15-3-1-2-12(6-15)14-7-18(24-10-14)11-20(8-16(18)21)17(22)13-4-5-23-9-13/h1-6,9,14,16,21H,7-8,10-11H2/t14-,16+,18+/m0/s1
InChIKeyKKEISDMPVFXOKI-YXJHDRRASA-N
MW331.34 g/mol
LogP2.18
Rot. Bonds2

About [(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone

[(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone (PubChem CID 155996729) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is [(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
PubChem CID155996729
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1
InChIInChI=1S/C18H18FNO4/c19-15-3-1-2-12(6-15)14-7-18(24-10-14)11-20(8-16(18)21)17(22)13-4-5-23-9-13/h1-6,9,14,16,21H,7-8,10-11H2/t14-,16+,18+/m0/s1
InChIKeyKKEISDMPVFXOKI-YXJHDRRASA-N
XLogP2.18
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone (CID 155996729) is [(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1.
What is the InChIKey of [(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone?
The InChIKey is KKEISDMPVFXOKI-YXJHDRRASA-N. The full InChI is InChI=1S/C18H18FNO4/c19-15-3-1-2-12(6-15)14-7-18(24-10-14)11-20(8-16(18)21)17(22)13-4-5-23-9-13/h1-6,9,14,16,21H,7-8,10-11H2/t14-,16+,18+/m0/s1.
What are the key properties of [(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone?
[(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone has a molecular weight of 331.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R,9R)-3-(3-fluorophenyl)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 155996729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).