9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H24F2N2O2 — CID 70713827

IUPAC9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3cc(F)cc(F)c3)CC2)CN1CCO
InChIInChI=1S/C18H24F2N2O2/c19-15-9-14(10-16(20)11-15)12-21-5-3-18(4-6-21)2-1-17(24)22(13-18)7-8-23/h9-11,23H,1-8,12-13H2
InChIKeyUOAAYCPBGQTVRD-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.16
Rot. Bonds4

About 9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70713827) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70713827
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3cc(F)cc(F)c3)CC2)CN1CCO
InChIInChI=1S/C18H24F2N2O2/c19-15-9-14(10-16(20)11-15)12-21-5-3-18(4-6-21)2-1-17(24)22(13-18)7-8-23/h9-11,23H,1-8,12-13H2
InChIKeyUOAAYCPBGQTVRD-UHFFFAOYSA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70713827) is 9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3cc(F)cc(F)c3)CC2)CN1CCO.
What is the InChIKey of 9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UOAAYCPBGQTVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c19-15-9-14(10-16(20)11-15)12-21-5-3-18(4-6-21)2-1-17(24)22(13-18)7-8-23/h9-11,23H,1-8,12-13H2.
What are the key properties of 9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 338.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-difluorophenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70713827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).