(1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one

C47H52F10N8O3 — CID 167657684

About (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one

(1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one (PubChem CID 167657684) has the molecular formula C47H52F10N8O3 and a molecular weight of 966.97 g/mol. Its IUPAC name is (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one
• PubChem CID: 167657684
• Molecular Formula: C47H52F10N8O3
• Molecular Weight: 966.97 g/mol
• Exact Mass: 966.40
• IUPAC Name: (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one
• SMILES: CN1c2ccc(F)cc2C(=O)CC12CCN(C(=O)NCc1ccc(F)c([C@@H](N)C(F)(F)F)c1)CC2.CN1c2ccc(F)cc2C(=O)CC12CCNCC2.NCc1ccc(F)c([C@@H](N)C(F)(F)F)c1
• InChI: InChI=1S/C24H25F5N4O2.C14H17FN2O.C9H10F4N2/c1-32-19-5-3-15(25)11-17(19)20(34)12-23(32)6-8-33(9-7-23)22(35)31-13-14-2-4-18(26)16(10-14)21(30)24(27,28)29;1-17-12-3-2-10(15)8-11(12)13(18)9-14(17)4-6-16-7-5-14;10-7-2-1-5(4-14)3-6(7)8(15)9(11,12)13/h2-5,10-11,21H,6-9,12-13,30H2,1H3,(H,31,35);2-3,8,16H,4-7,9H2,1H3;1-3,8H,4,14-15H2/t21-;;8-/m1.1/s1
• InChIKey: RMQCBMSCRZQBHV-VPMTYKRLSA-N
• XLogP: 8.11
• TPSA: 163.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.97
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one?

The IUPAC name of (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one (CID 167657684) is (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one.

What is the SMILES notation for (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one?

The canonical SMILES for (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one is CN1c2ccc(F)cc2C(=O)CC12CCN(C(=O)NCc1ccc(F)c([C@@H](N)C(F)(F)F)c1)CC2.CN1c2ccc(F)cc2C(=O)CC12CCNCC2.NCc1ccc(F)c([C@@H](N)C(F)(F)F)c1.

What is the InChIKey of (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one?

The InChIKey is RMQCBMSCRZQBHV-VPMTYKRLSA-N. The full InChI is InChI=1S/C24H25F5N4O2.C14H17FN2O.C9H10F4N2/c1-32-19-5-3-15(25)11-17(19)20(34)12-23(32)6-8-33(9-7-23)22(35)31-13-14-2-4-18(26)16(10-14)21(30)24(27,28)29;1-17-12-3-2-10(15)8-11(12)13(18)9-14(17)4-6-16-7-5-14;10-7-2-1-5(4-14)3-6(7)8(15)9(11,12)13/h2-5,10-11,21H,6-9,12-13,30H2,1H3,(H,31,35);2-3,8,16H,4-7,9H2,1H3;1-3,8H,4,14-15H2/t21-;;8-/m1.1/s1.

What are the key properties of (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one?

(1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one has a molecular weight of 966.97 g/mol, XLogP of 8.11, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 167657684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).