(5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one

C17H20F4N2O — CID 71243225

IUPAC(5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
SMILESCCC[C@@]1(C)N(CC(F)(F)F)C(=O)NC12CCc1ccc(F)cc12
InChIInChI=1S/C17H20F4N2O/c1-3-7-15(2)16(22-14(24)23(15)10-17(19,20)21)8-6-11-4-5-12(18)9-13(11)16/h4-5,9H,3,6-8,10H2,1-2H3,(H,22,24)/t15-,16?/m1/s1
InChIKeyBAGVESMVVKNBJF-AAFJCEBUSA-N
MW344.35 g/mol
LogP4.11
Rot. Bonds3

About (5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one

(5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one (PubChem CID 71243225) has the molecular formula C17H20F4N2O and a molecular weight of 344.35 g/mol. Its IUPAC name is (5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one.

Molecular Properties

Compound Name(5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
PubChem CID71243225
Molecular FormulaC17H20F4N2O
Molecular Weight344.35 g/mol
Exact Mass344.15
IUPAC Name(5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
SMILESCCC[C@@]1(C)N(CC(F)(F)F)C(=O)NC12CCc1ccc(F)cc12
InChIInChI=1S/C17H20F4N2O/c1-3-7-15(2)16(22-14(24)23(15)10-17(19,20)21)8-6-11-4-5-12(18)9-13(11)16/h4-5,9H,3,6-8,10H2,1-2H3,(H,22,24)/t15-,16?/m1/s1
InChIKeyBAGVESMVVKNBJF-AAFJCEBUSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one?
The IUPAC name of (5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one (CID 71243225) is (5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one.
What is the SMILES notation for (5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one?
The canonical SMILES for (5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one is CCC[C@@]1(C)N(CC(F)(F)F)C(=O)NC12CCc1ccc(F)cc12.
What is the InChIKey of (5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one?
The InChIKey is BAGVESMVVKNBJF-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H20F4N2O/c1-3-7-15(2)16(22-14(24)23(15)10-17(19,20)21)8-6-11-4-5-12(18)9-13(11)16/h4-5,9H,3,6-8,10H2,1-2H3,(H,22,24)/t15-,16?/m1/s1.
What are the key properties of (5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one?
(5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one has a molecular weight of 344.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one is sourced from PubChem (CID 71243225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).