1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone

C17H20F3NO3 — CID 124750870

IUPAC1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone
SMILESO=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCC2(CCO2)CC1
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)15(13-4-2-1-3-5-13)23-12-14(22)21-9-6-16(7-10-21)8-11-24-16/h1-5,15H,6-12H2/t15-/m1/s1
InChIKeyFDVPAQCYXJHAFE-OAHLLOKOSA-N
MW343.34 g/mol
LogP3.09
Rot. Bonds4

About 1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone

1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone (PubChem CID 124750870) has the molecular formula C17H20F3NO3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone.

Molecular Properties

Compound Name1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone
PubChem CID124750870
Molecular FormulaC17H20F3NO3
Molecular Weight343.34 g/mol
Exact Mass343.14
IUPAC Name1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone
SMILESO=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCC2(CCO2)CC1
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)15(13-4-2-1-3-5-13)23-12-14(22)21-9-6-16(7-10-21)8-11-24-16/h1-5,15H,6-12H2/t15-/m1/s1
InChIKeyFDVPAQCYXJHAFE-OAHLLOKOSA-N
XLogP3.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone?
The IUPAC name of 1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone (CID 124750870) is 1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone.
What is the SMILES notation for 1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone?
The canonical SMILES for 1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone is O=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCC2(CCO2)CC1.
What is the InChIKey of 1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone?
The InChIKey is FDVPAQCYXJHAFE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20F3NO3/c18-17(19,20)15(13-4-2-1-3-5-13)23-12-14(22)21-9-6-16(7-10-21)8-11-24-16/h1-5,15H,6-12H2/t15-/m1/s1.
What are the key properties of 1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone?
1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone has a molecular weight of 343.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone is sourced from PubChem (CID 124750870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).