(2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline

C27H24F7NO2 — CID 143710700

About (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline

(2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline (PubChem CID 143710700) has the molecular formula C27H24F7NO2 and a molecular weight of 527.48 g/mol. Its IUPAC name is (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline
• PubChem CID: 143710700
• Molecular Formula: C27H24F7NO2
• Molecular Weight: 527.48 g/mol
• Exact Mass: 527.17
• IUPAC Name: (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline
• SMILES: CCCN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1
• InChI: InChI=1S/C27H24F7NO2/c1-2-14-35-23(18-7-4-8-19(16-18)36-26(30,31)25(28)29)13-12-22-21(10-5-11-24(22)35)17-6-3-9-20(15-17)37-27(32,33)34/h3-11,15-16,23,25H,2,12-14H2,1H3/t23-/m1/s1
• InChIKey: KDKFIRBGDBNXKH-HSZRJFAPSA-N
• XLogP: 8.39
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.48
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline?

The IUPAC name of (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline (CID 143710700) is (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline is CCCN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1.

What is the InChIKey of (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline?

The InChIKey is KDKFIRBGDBNXKH-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H24F7NO2/c1-2-14-35-23(18-7-4-8-19(16-18)36-26(30,31)25(28)29)13-12-22-21(10-5-11-24(22)35)17-6-3-9-20(15-17)37-27(32,33)34/h3-11,15-16,23,25H,2,12-14H2,1H3/t23-/m1/s1.

What are the key properties of (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline?

(2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline has a molecular weight of 527.48 g/mol, XLogP of 8.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 143710700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).