5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one

C15H16F2N2O2 — CID 83267240

IUPAC5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(C2CCOC2)C(c2ccc(F)c(F)c2)NC12CC2
InChIInChI=1S/C15H16F2N2O2/c16-11-2-1-9(7-12(11)17)13-18-15(4-5-15)14(20)19(13)10-3-6-21-8-10/h1-2,7,10,13,18H,3-6,8H2
InChIKeyHRIUSXYEVQIPIC-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.72
Rot. Bonds2

About 5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one

5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83267240) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83267240
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(C2CCOC2)C(c2ccc(F)c(F)c2)NC12CC2
InChIInChI=1S/C15H16F2N2O2/c16-11-2-1-9(7-12(11)17)13-18-15(4-5-15)14(20)19(13)10-3-6-21-8-10/h1-2,7,10,13,18H,3-6,8H2
InChIKeyHRIUSXYEVQIPIC-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83267240) is 5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(C2CCOC2)C(c2ccc(F)c(F)c2)NC12CC2.
What is the InChIKey of 5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is HRIUSXYEVQIPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-11-2-1-9(7-12(11)17)13-18-15(4-5-15)14(20)19(13)10-3-6-21-8-10/h1-2,7,10,13,18H,3-6,8H2.
What are the key properties of 5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 294.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83267240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).