1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone

C14H14BrF3N2O — CID 155153083

IUPAC1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC2(CC1)CNc1cc(Br)ccc12)C(F)(F)F
InChIInChI=1S/C14H14BrF3N2O/c15-9-1-2-10-11(7-9)19-8-13(10)3-5-20(6-4-13)12(21)14(16,17)18/h1-2,7,19H,3-6,8H2
InChIKeyZUUZCJHBFOTMGN-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.30
Rot. Bonds

About 1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone

1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone (PubChem CID 155153083) has the molecular formula C14H14BrF3N2O and a molecular weight of 363.18 g/mol. Its IUPAC name is 1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone
PubChem CID155153083
Molecular FormulaC14H14BrF3N2O
Molecular Weight363.18 g/mol
Exact Mass362.02
IUPAC Name1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCC2(CC1)CNc1cc(Br)ccc12)C(F)(F)F
InChIInChI=1S/C14H14BrF3N2O/c15-9-1-2-10-11(7-9)19-8-13(10)3-5-20(6-4-13)12(21)14(16,17)18/h1-2,7,19H,3-6,8H2
InChIKeyZUUZCJHBFOTMGN-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone (CID 155153083) is 1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone is O=C(N1CCC2(CC1)CNc1cc(Br)ccc12)C(F)(F)F.
What is the InChIKey of 1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone?
The InChIKey is ZUUZCJHBFOTMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2O/c15-9-1-2-10-11(7-9)19-8-13(10)3-5-20(6-4-13)12(21)14(16,17)18/h1-2,7,19H,3-6,8H2.
What are the key properties of 1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone?
1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone has a molecular weight of 363.18 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 155153083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).