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

C14H16F2N2O — CID 83242438

IUPAC5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O/c1-2-7-18-12(17-14(5-6-14)13(18)19)9-3-4-10(15)11(16)8-9/h3-4,8,12,17H,2,5-7H2,1H3
InChIKeyIHZHZUYJRHOLDJ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.34
Rot. Bonds3

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

5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83242438) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83242438
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O/c1-2-7-18-12(17-14(5-6-14)13(18)19)9-3-4-10(15)11(16)8-9/h3-4,8,12,17H,2,5-7H2,1H3
InChIKeyIHZHZUYJRHOLDJ-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-difluorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246226
5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243214
6-butyl-5-(3-fluoro-4-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237728
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242531
5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246689
5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241982
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247259
5-(3-chlorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251394
2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83241892
5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83243144

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83242438) is 5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCN1C(=O)C2(CC2)NC1c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is IHZHZUYJRHOLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-2-7-18-12(17-14(5-6-14)13(18)19)9-3-4-10(15)11(16)8-9/h3-4,8,12,17H,2,5-7H2,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 266.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83242438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).