lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol

C175H170Br2F21LiN9O10P — CID 167551011

About lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol

lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol (PubChem CID 167551011) has the molecular formula C175H170Br2F21LiN9O10P and a molecular weight of 3156.02 g/mol. Its IUPAC name is lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol.

Molecular Properties

• Compound Name: lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol
• PubChem CID: 167551011
• Molecular Formula: C175H170Br2F21LiN9O10P
• Molecular Weight: 3156.02 g/mol
• Exact Mass: 3152.10
• IUPAC Name: lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol
• SMILES: C=CC1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.C=C[C@@H]1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.C=C[C@H]1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.COC(=O)C1CNc2ccccc2C1.COC(=O)C1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.COC(=O)c1cnc2ccccc2c1.COC1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.FC(F)(F)c1cccc(CBr)c1.O=C(O)c1cnc2ccccc2c1.OCC1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.[CH2-]CCC.[Li+]
• InChI: InChI=1S/C19H18BrP.C19H18F3NO2.3C19H18F3N.2C18H18F3NO.C11H13NO2.C11H9NO2.C10H7NO2.C8H6BrF3.C4H9.Li/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-25-18(24)15-10-14-6-2-3-8-17(14)23(12-15)11-13-5-4-7-16(9-13)19(20,21)22;3*1-2-14-10-16-7-3-4-9-18(16)23(12-14)13-15-6-5-8-17(11-15)19(20,21)22;1-23-16-10-14-6-2-3-8-17(14)22(12-16)11-13-5-4-7-15(9-13)18(19,20)21;19-18(20,21)16-6-3-4-13(9-16)10-22-11-14(12-23)8-15-5-1-2-7-17(15)22;2*1-14-11(13)9-6-8-4-2-3-5-10(8)12-7-9;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;9-5-6-2-1-3-7(4-6)8(10,11)12;1-3-4-2;/h2-16H,1H3;2-9,15H,10-12H2,1H3;3*2-9,11,14H,1,10,12-13H2;2-9,16H,10-12H2,1H3;1-7,9,14,23H,8,10-12H2;2-5,9,12H,6-7H2,1H3;2-7H,1H3;1-6H,(H,12,13);1-4H,5H2;1,3-4H2,2H3;/q;;;;;;;;;;;-1;+1/t;;2*14-;;;;;;;;;/m..10........./s1
• InChIKey: UNYDGUQFBPJPOE-OASLVWGMSA-N
• XLogP: 39.51
• TPSA: 202.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 26
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3156.02
LogP ≤ 5	39.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol?

The IUPAC name of lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol (CID 167551011) is lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol.

What is the SMILES notation for lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol?

The canonical SMILES for lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol is C=CC1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.C=C[C@@H]1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.C=C[C@H]1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.COC(=O)C1CNc2ccccc2C1.COC(=O)C1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.COC(=O)c1cnc2ccccc2c1.COC1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.FC(F)(F)c1cccc(CBr)c1.O=C(O)c1cnc2ccccc2c1.OCC1Cc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol?

The InChIKey is UNYDGUQFBPJPOE-OASLVWGMSA-N. The full InChI is InChI=1S/C19H18BrP.C19H18F3NO2.3C19H18F3N.2C18H18F3NO.C11H13NO2.C11H9NO2.C10H7NO2.C8H6BrF3.C4H9.Li/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-25-18(24)15-10-14-6-2-3-8-17(14)23(12-15)11-13-5-4-7-16(9-13)19(20,21)22;3*1-2-14-10-16-7-3-4-9-18(16)23(12-14)13-15-6-5-8-17(11-15)19(20,21)22;1-23-16-10-14-6-2-3-8-17(14)22(12-16)11-13-5-4-7-15(9-13)18(19,20)21;19-18(20,21)16-6-3-4-13(9-16)10-22-11-14(12-23)8-15-5-1-2-7-17(15)22;2*1-14-11(13)9-6-8-4-2-3-5-10(8)12-7-9;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;9-5-6-2-1-3-7(4-6)8(10,11)12;1-3-4-2;/h2-16H,1H3;2-9,15H,10-12H2,1H3;3*2-9,11,14H,1,10,12-13H2;2-9,16H,10-12H2,1H3;1-7,9,14,23H,8,10-12H2;2-5,9,12H,6-7H2,1H3;2-7H,1H3;1-6H,(H,12,13);1-4H,5H2;1,3-4H2,2H3;/q;;;;;;;;;;;-1;+1/t;;2*14-;;;;;;;;;/m..10........./s1.

What are the key properties of lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol?

lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol has a molecular weight of 3156.02 g/mol, XLogP of 39.51, 26 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-(bromomethyl)-3-(trifluoromethyl)benzene;bromo-methyl-triphenyl-λ5-phosphane;butane;3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3S)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;(3R)-3-ethenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-3-carboxylate;quinoline-3-carboxylic acid;[1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]methanol is sourced from PubChem (CID 167551011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).