10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride

C23H25ClF5N — CID 159466328

About 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride

10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride (PubChem CID 159466328) has the molecular formula C23H25ClF5N and a molecular weight of 445.90 g/mol. Its IUPAC name is 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride.

Molecular Properties

• Compound Name: 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride
• PubChem CID: 159466328
• Molecular Formula: C23H25ClF5N
• Molecular Weight: 445.90 g/mol
• Exact Mass: 445.16
• IUPAC Name: 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride
• SMILES: CC(F)(c1ccc2c(c1)CCC1NCCCC21Cc1ccc(F)cc1)C(F)(F)F.Cl
• InChI: InChI=1S/C23H24F5N.ClH/c1-21(25,23(26,27)28)17-6-9-19-16(13-17)5-10-20-22(19,11-2-12-29-20)14-15-3-7-18(24)8-4-15;/h3-4,6-9,13,20,29H,2,5,10-12,14H2,1H3;1H
• InChIKey: LYDVQOJYKSXSTL-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.90
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride?

The IUPAC name of 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride (CID 159466328) is 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride.

What is the SMILES notation for 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride?

The canonical SMILES for 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride is CC(F)(c1ccc2c(c1)CCC1NCCCC21Cc1ccc(F)cc1)C(F)(F)F.Cl.

What is the InChIKey of 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride?

The InChIKey is LYDVQOJYKSXSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F5N.ClH/c1-21(25,23(26,27)28)17-6-9-19-16(13-17)5-10-20-22(19,11-2-12-29-20)14-15-3-7-18(24)8-4-15;/h3-4,6-9,13,20,29H,2,5,10-12,14H2,1H3;1H.

What are the key properties of 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride?

10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride has a molecular weight of 445.90 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10b-[(4-fluorophenyl)methyl]-8-(1,1,1,2-tetrafluoropropan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-benzo[f]quinoline;hydrochloride is sourced from PubChem (CID 159466328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).