7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one

C150H176Cl2F20N6O6 — CID 158036096

IUPAC7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one
SMILESCCC(CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CCC(CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(F)c(C(F)(F)F)c1.CCC(CC(=O)CCCCc1ccc2c(n1)CCCC2)c1cccc(C(F)(F)F)c1.CC[C@H](CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CC[C@H](CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(F)c(C(F)(F)F)c1.CC[C@H](CC(=O)CCCCc1ccc2c(n1)CCCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C25H29ClF3NO.2C25H29F4NO.2C25H30F3NO/c4*1-2-17(19-12-14-23(26)22(16-19)25(27,28)29)15-21(31)9-5-4-8-20-13-11-18-7-3-6-10-24(18)30-20;2*1-2-18(20-9-7-10-21(16-20)25(26,27)28)17-23(30)12-5-4-11-22-15-14-19-8-3-6-13-24(19)29-22/h4*11-14,16-17H,2-10,15H2,1H3;2*7,9-10,14-16,18H,2-6,8,11-13,17H2,1H3/t17-;;17-;;18-;/m1.1.1./s1
InChIKeyFHTKTMPRWUMAJS-RNKXDXPQSA-N
MW2609.96 g/mol
LogP42.65
Rot. Bonds54

About 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one

7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one (PubChem CID 158036096) has the molecular formula C150H176Cl2F20N6O6 and a molecular weight of 2609.96 g/mol. Its IUPAC name is 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one.

Molecular Properties

Compound Name7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one
PubChem CID158036096
Molecular FormulaC150H176Cl2F20N6O6
Molecular Weight2609.96 g/mol
Exact Mass2607.27
IUPAC Name7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one
SMILESCCC(CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CCC(CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(F)c(C(F)(F)F)c1.CCC(CC(=O)CCCCc1ccc2c(n1)CCCC2)c1cccc(C(F)(F)F)c1.CC[C@H](CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CC[C@H](CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(F)c(C(F)(F)F)c1.CC[C@H](CC(=O)CCCCc1ccc2c(n1)CCCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C25H29ClF3NO.2C25H29F4NO.2C25H30F3NO/c4*1-2-17(19-12-14-23(26)22(16-19)25(27,28)29)15-21(31)9-5-4-8-20-13-11-18-7-3-6-10-24(18)30-20;2*1-2-18(20-9-7-10-21(16-20)25(26,27)28)17-23(30)12-5-4-11-22-15-14-19-8-3-6-13-24(19)29-22/h4*11-14,16-17H,2-10,15H2,1H3;2*7,9-10,14-16,18H,2-6,8,11-13,17H2,1H3/t17-;;17-;;18-;/m1.1.1./s1
InChIKeyFHTKTMPRWUMAJS-RNKXDXPQSA-N
XLogP42.65
TPSA179.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds54
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002609.96
LogP ≤ 542.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one?
The IUPAC name of 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one (CID 158036096) is 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one.
What is the SMILES notation for 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one?
The canonical SMILES for 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one is CCC(CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CCC(CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(F)c(C(F)(F)F)c1.CCC(CC(=O)CCCCc1ccc2c(n1)CCCC2)c1cccc(C(F)(F)F)c1.CC[C@H](CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CC[C@H](CC(=O)CCCCc1ccc2c(n1)CCCC2)c1ccc(F)c(C(F)(F)F)c1.CC[C@H](CC(=O)CCCCc1ccc2c(n1)CCCC2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one?
The InChIKey is FHTKTMPRWUMAJS-RNKXDXPQSA-N. The full InChI is InChI=1S/2C25H29ClF3NO.2C25H29F4NO.2C25H30F3NO/c4*1-2-17(19-12-14-23(26)22(16-19)25(27,28)29)15-21(31)9-5-4-8-20-13-11-18-7-3-6-10-24(18)30-20;2*1-2-18(20-9-7-10-21(16-20)25(26,27)28)17-23(30)12-5-4-11-22-15-14-19-8-3-6-13-24(19)29-22/h4*11-14,16-17H,2-10,15H2,1H3;2*7,9-10,14-16,18H,2-6,8,11-13,17H2,1H3/t17-;;17-;;18-;/m1.1.1./s1.
What are the key properties of 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one?
7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one has a molecular weight of 2609.96 g/mol, XLogP of 42.65, 54 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one is sourced from PubChem (CID 158036096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).