1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one

C17H14F8N2O — CID 15980299

About 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one

1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one (PubChem CID 15980299) has the molecular formula C17H14F8N2O and a molecular weight of 414.30 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

• Compound Name: 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one
• PubChem CID: 15980299
• Molecular Formula: C17H14F8N2O
• Molecular Weight: 414.30 g/mol
• Exact Mass: 414.10
• IUPAC Name: 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one
• SMILES: CC1c2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N(CC(F)(F)C(F)(F)F)C1C
• InChI: InChI=1S/C17H14F8N2O/c1-7-8(2)27(6-15(18,19)17(23,24)25)11-4-3-10-14(13(7)11)9(16(20,21)22)5-12(28)26-10/h3-5,7-8H,6H2,1-2H3,(H,26,28)
• InChIKey: YJNPFHKQBJIWMF-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 36.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.30
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?

The IUPAC name of 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one (CID 15980299) is 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one.

What is the SMILES notation for 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?

The canonical SMILES for 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one is CC1c2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N(CC(F)(F)C(F)(F)F)C1C.

What is the InChIKey of 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?

The InChIKey is YJNPFHKQBJIWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F8N2O/c1-7-8(2)27(6-15(18,19)17(23,24)25)11-4-3-10-14(13(7)11)9(16(20,21)22)5-12(28)26-10/h3-5,7-8H,6H2,1-2H3,(H,26,28).

What are the key properties of 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?

1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one has a molecular weight of 414.30 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-3-(2,2,3,3,3-pentafluoropropyl)-9-(trifluoromethyl)-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one is sourced from PubChem (CID 15980299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).