8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one

C20H24F5NO4 — CID 58229922

IUPAC8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc([C@@H](O)C(F)(F)F)cc2)CCC12CCC(O)(COCC(F)F)CC2
InChIInChI=1S/C20H24F5NO4/c21-15(22)11-30-12-19(29)7-5-18(6-8-19)9-10-26(17(18)28)14-3-1-13(2-4-14)16(27)20(23,24)25/h1-4,15-16,27,29H,5-12H2/t16-,18?,19?/m1/s1
InChIKeyPOAOAITTXSUOPC-IPJUCJBFSA-N
MW437.41 g/mol
LogP3.59
Rot. Bonds6

About 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one

8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 58229922) has the molecular formula C20H24F5NO4 and a molecular weight of 437.41 g/mol. Its IUPAC name is 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID58229922
Molecular FormulaC20H24F5NO4
Molecular Weight437.41 g/mol
Exact Mass437.16
IUPAC Name8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc([C@@H](O)C(F)(F)F)cc2)CCC12CCC(O)(COCC(F)F)CC2
InChIInChI=1S/C20H24F5NO4/c21-15(22)11-30-12-19(29)7-5-18(6-8-19)9-10-26(17(18)28)14-3-1-13(2-4-14)16(27)20(23,24)25/h1-4,15-16,27,29H,5-12H2/t16-,18?,19?/m1/s1
InChIKeyPOAOAITTXSUOPC-IPJUCJBFSA-N
XLogP3.59
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one (CID 58229922) is 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one is O=C1N(c2ccc([C@@H](O)C(F)(F)F)cc2)CCC12CCC(O)(COCC(F)F)CC2.
What is the InChIKey of 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is POAOAITTXSUOPC-IPJUCJBFSA-N. The full InChI is InChI=1S/C20H24F5NO4/c21-15(22)11-30-12-19(29)7-5-18(6-8-19)9-10-26(17(18)28)14-3-1-13(2-4-14)16(27)20(23,24)25/h1-4,15-16,27,29H,5-12H2/t16-,18?,19?/m1/s1.
What are the key properties of 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one?
8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 437.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58229922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).