2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol

C35H29F8NO — CID 15391917

About 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol

2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol (PubChem CID 15391917) has the molecular formula C35H29F8NO and a molecular weight of 631.61 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol.

Molecular Properties

• Compound Name: 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol
• PubChem CID: 15391917
• Molecular Formula: C35H29F8NO
• Molecular Weight: 631.61 g/mol
• Exact Mass: 631.21
• IUPAC Name: 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol
• SMILES: OC1CC(c2ccc(C(F)(F)F)cc2)Cc2nc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21
• InChI: InChI=1S/C35H29F8NO/c36-26-15-9-20(10-16-26)29-30-27(17-23(18-28(30)45)19-5-11-24(12-6-19)34(38,39)40)44-33(22-3-1-2-4-22)31(29)32(37)21-7-13-25(14-8-21)35(41,42)43/h5-16,22-23,28,32,45H,1-4,17-18H2
• InChIKey: FCNFTXSRSDFJSK-UHFFFAOYSA-N
• XLogP: 10.41
• TPSA: 33.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.61
LogP ≤ 5	10.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol?

The IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol (CID 15391917) is 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol.

What is the SMILES notation for 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol?

The canonical SMILES for 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol is OC1CC(c2ccc(C(F)(F)F)cc2)Cc2nc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21.

What is the InChIKey of 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol?

The InChIKey is FCNFTXSRSDFJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F8NO/c36-26-15-9-20(10-16-26)29-30-27(17-23(18-28(30)45)19-5-11-24(12-6-19)34(38,39)40)44-33(22-3-1-2-4-22)31(29)32(37)21-7-13-25(14-8-21)35(41,42)43/h5-16,22-23,28,32,45H,1-4,17-18H2.

What are the key properties of 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol?

2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol has a molecular weight of 631.61 g/mol, XLogP of 10.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol is sourced from PubChem (CID 15391917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).