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

C30H30F5NO2 — CID 54363823

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

2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol (PubChem CID 54363823) has the molecular formula C30H30F5NO2 and a molecular weight of 531.57 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol.

Molecular Properties

• Compound Name: 2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol
• PubChem CID: 54363823
• Molecular Formula: C30H30F5NO2
• Molecular Weight: 531.57 g/mol
• Exact Mass: 531.22
• IUPAC Name: 2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol
• SMILES: OCC1Cc2nc(C3CCCC3)c(CC(F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c2C(O)C1
• InChI: InChI=1S/C30H30F5NO2/c31-22-11-7-19(8-12-22)27-23(15-24(32)18-5-9-21(10-6-18)30(33,34)35)29(20-3-1-2-4-20)36-25-13-17(16-37)14-26(38)28(25)27/h5-12,17,20,24,26,37-38H,1-4,13-16H2
• InChIKey: UOJDNJGDNKUBPT-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 53.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.57
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol (CID 54363823) is 2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol.

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

The canonical SMILES for 2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol is OCC1Cc2nc(C3CCCC3)c(CC(F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c2C(O)C1.

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

The InChIKey is UOJDNJGDNKUBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F5NO2/c31-22-11-7-19(8-12-22)27-23(15-24(32)18-5-9-21(10-6-18)30(33,34)35)29(20-3-1-2-4-20)36-25-13-17(16-37)14-26(38)28(25)27/h5-12,17,20,24,26,37-38H,1-4,13-16H2.

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

2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol has a molecular weight of 531.57 g/mol, XLogP of 7.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol is sourced from PubChem (CID 54363823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).