cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid

C18H20F4N2O3 — CID 118742218

IUPACcyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CC1)N1CC2(CCNCC2)c2cc(F)ccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19FN2O.C2HF3O2/c17-12-3-4-14-13(9-12)16(5-7-18-8-6-16)10-19(14)15(20)11-1-2-11;3-2(4,5)1(6)7/h3-4,9,11,18H,1-2,5-8,10H2;(H,6,7)
InChIKeyBPVJGZQQDLQBQJ-UHFFFAOYSA-N
MW388.36 g/mol
LogP2.84
Rot. Bonds1

About cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid

cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 118742218) has the molecular formula C18H20F4N2O3 and a molecular weight of 388.36 g/mol. Its IUPAC name is cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID118742218
Molecular FormulaC18H20F4N2O3
Molecular Weight388.36 g/mol
Exact Mass388.14
IUPAC Namecyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CC1)N1CC2(CCNCC2)c2cc(F)ccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19FN2O.C2HF3O2/c17-12-3-4-14-13(9-12)16(5-7-18-8-6-16)10-19(14)15(20)11-1-2-11;3-2(4,5)1(6)7/h3-4,9,11,18H,1-2,5-8,10H2;(H,6,7)
InChIKeyBPVJGZQQDLQBQJ-UHFFFAOYSA-N
XLogP2.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid (CID 118742218) is cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid is O=C(C1CC1)N1CC2(CCNCC2)c2cc(F)ccc21.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is BPVJGZQQDLQBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O.C2HF3O2/c17-12-3-4-14-13(9-12)16(5-7-18-8-6-16)10-19(14)15(20)11-1-2-11;3-2(4,5)1(6)7/h3-4,9,11,18H,1-2,5-8,10H2;(H,6,7).
What are the key properties of cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid?
cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 388.36 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).