2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

C16H20FNO3 — CID 97476710

IUPAC2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
SMILESCO[C@H]1CO[C@@]2(CCN(C(=O)Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C16H20FNO3/c1-20-14-9-16(21-10-14)5-6-18(11-16)15(19)8-12-3-2-4-13(17)7-12/h2-4,7,14H,5-6,8-11H2,1H3/t14-,16+/m1/s1
InChIKeyCQWSYBJLLXOMGB-ZBFHGGJFSA-N
MW293.34 g/mol
LogP1.77
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (PubChem CID 97476710) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
PubChem CID97476710
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
SMILESCO[C@H]1CO[C@@]2(CCN(C(=O)Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C16H20FNO3/c1-20-14-9-16(21-10-14)5-6-18(11-16)15(19)8-12-3-2-4-13(17)7-12/h2-4,7,14H,5-6,8-11H2,1H3/t14-,16+/m1/s1
InChIKeyCQWSYBJLLXOMGB-ZBFHGGJFSA-N
XLogP1.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.77
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-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (CID 97476710) is 2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is CO[C@H]1CO[C@@]2(CCN(C(=O)Cc3cccc(F)c3)C2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The InChIKey is CQWSYBJLLXOMGB-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-20-14-9-16(21-10-14)5-6-18(11-16)15(19)8-12-3-2-4-13(17)7-12/h2-4,7,14H,5-6,8-11H2,1H3/t14-,16+/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
2-(3-fluorophenyl)-1-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone has a molecular weight of 293.34 g/mol, XLogP of 1.77, 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-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is sourced from PubChem (CID 97476710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).