8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H19F3N2O4 — CID 124753316

IUPAC8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)CO[C@H](c3ccccc3)C(F)(F)F)CC2)O1
InChIInChI=1S/C17H19F3N2O4/c18-17(19,20)14(12-4-2-1-3-5-12)25-10-13(23)22-8-6-16(7-9-22)11-21-15(24)26-16/h1-5,14H,6-11H2,(H,21,24)/t14-/m1/s1
InChIKeyLUBAXPNLLHCWKH-CQSZACIVSA-N
MW372.34 g/mol
LogP2.41
Rot. Bonds4

About 8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 124753316) has the molecular formula C17H19F3N2O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID124753316
Molecular FormulaC17H19F3N2O4
Molecular Weight372.34 g/mol
Exact Mass372.13
IUPAC Name8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)CO[C@H](c3ccccc3)C(F)(F)F)CC2)O1
InChIInChI=1S/C17H19F3N2O4/c18-17(19,20)14(12-4-2-1-3-5-12)25-10-13(23)22-8-6-16(7-9-22)11-21-15(24)26-16/h1-5,14H,6-11H2,(H,21,24)/t14-/m1/s1
InChIKeyLUBAXPNLLHCWKH-CQSZACIVSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 124753316) is 8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(C(=O)CO[C@H](c3ccccc3)C(F)(F)F)CC2)O1.
What is the InChIKey of 8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LUBAXPNLLHCWKH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19F3N2O4/c18-17(19,20)14(12-4-2-1-3-5-12)25-10-13(23)22-8-6-16(7-9-22)11-21-15(24)26-16/h1-5,14H,6-11H2,(H,21,24)/t14-/m1/s1.
What are the key properties of 8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 372.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 124753316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).