4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one

C22H21F3N2O2 — CID 58237221

IUPAC4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
SMILESO=C(CC1CCCC2(C1)C(=O)N(c1cccc(F)c1)CC2(F)F)c1ccccn1
InChIInChI=1S/C22H21F3N2O2/c23-16-6-3-7-17(12-16)27-14-22(24,25)21(20(27)29)9-4-5-15(13-21)11-19(28)18-8-1-2-10-26-18/h1-3,6-8,10,12,15H,4-5,9,11,13-14H2
InChIKeyLPFGIDNZTNFUTC-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.65
Rot. Bonds4

About 4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one

4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 58237221) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
PubChem CID58237221
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
SMILESO=C(CC1CCCC2(C1)C(=O)N(c1cccc(F)c1)CC2(F)F)c1ccccn1
InChIInChI=1S/C22H21F3N2O2/c23-16-6-3-7-17(12-16)27-14-22(24,25)21(20(27)29)9-4-5-15(13-21)11-19(28)18-8-1-2-10-26-18/h1-3,6-8,10,12,15H,4-5,9,11,13-14H2
InChIKeyLPFGIDNZTNFUTC-UHFFFAOYSA-N
XLogP4.65
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one (CID 58237221) is 4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one is O=C(CC1CCCC2(C1)C(=O)N(c1cccc(F)c1)CC2(F)F)c1ccccn1.
What is the InChIKey of 4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is LPFGIDNZTNFUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c23-16-6-3-7-17(12-16)27-14-22(24,25)21(20(27)29)9-4-5-15(13-21)11-19(28)18-8-1-2-10-26-18/h1-3,6-8,10,12,15H,4-5,9,11,13-14H2.
What are the key properties of 4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 402.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58237221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).