1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one

C14H15F2N3O — CID 145475207

IUPAC1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
SMILES[H]/N=C1\N(CC(C)(F)F)C(=O)NC12CCc1ccccc12
InChIInChI=1S/C14H15F2N3O/c1-13(15,16)8-19-11(17)14(18-12(19)20)7-6-9-4-2-3-5-10(9)14/h2-5,17H,6-8H2,1H3,(H,18,20)/b17-11-
InChIKeyLCOACOZGBKSKQF-BOPFTXTBSA-N
MW279.29 g/mol
LogP2.49
Rot. Bonds2

About 1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one

1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one (PubChem CID 145475207) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one.

Molecular Properties

Compound Name1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
PubChem CID145475207
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
SMILES[H]/N=C1\N(CC(C)(F)F)C(=O)NC12CCc1ccccc12
InChIInChI=1S/C14H15F2N3O/c1-13(15,16)8-19-11(17)14(18-12(19)20)7-6-9-4-2-3-5-10(9)14/h2-5,17H,6-8H2,1H3,(H,18,20)/b17-11-
InChIKeyLCOACOZGBKSKQF-BOPFTXTBSA-N
XLogP2.49
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one?
The IUPAC name of 1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one (CID 145475207) is 1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one.
What is the SMILES notation for 1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one?
The canonical SMILES for 1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one is [H]/N=C1\N(CC(C)(F)F)C(=O)NC12CCc1ccccc12.
What is the InChIKey of 1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one?
The InChIKey is LCOACOZGBKSKQF-BOPFTXTBSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-13(15,16)8-19-11(17)14(18-12(19)20)7-6-9-4-2-3-5-10(9)14/h2-5,17H,6-8H2,1H3,(H,18,20)/b17-11-.
What are the key properties of 1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one?
1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one has a molecular weight of 279.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,2-difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one is sourced from PubChem (CID 145475207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).