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

C30H30F5NO2 — CID 59950692

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

2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol (PubChem CID 59950692) has the molecular formula C30H30F5NO2 and a molecular weight of 531.57 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol.

Molecular Properties

• Compound Name: 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol
• PubChem CID: 59950692
• Molecular Formula: C30H30F5NO2
• Molecular Weight: 531.57 g/mol
• Exact Mass: 531.22
• IUPAC Name: 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol
• SMILES: COCC1Cc2nc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c2C(O)C1
• InChI: InChI=1S/C30H30F5NO2/c1-38-16-17-14-23-26(24(37)15-17)25(18-8-12-22(31)13-9-18)27(29(36-23)20-4-2-3-5-20)28(32)19-6-10-21(11-7-19)30(33,34)35/h6-13,17,20,24,28,37H,2-5,14-16H2,1H3
• InChIKey: WOASXFAPLRBEHE-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• 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	7.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol (CID 59950692) is 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-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-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol?

The canonical SMILES for 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol is COCC1Cc2nc(C3CCCC3)c(C(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-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol?

The InChIKey is WOASXFAPLRBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F5NO2/c1-38-16-17-14-23-26(24(37)15-17)25(18-8-12-22(31)13-9-18)27(29(36-23)20-4-2-3-5-20)28(32)19-6-10-21(11-7-19)30(33,34)35/h6-13,17,20,24,28,37H,2-5,14-16H2,1H3.

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

2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol has a molecular weight of 531.57 g/mol, XLogP of 7.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol is sourced from PubChem (CID 59950692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).