6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde

C10H9F2NO2 — CID 170632246

IUPAC6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
SMILESO=Cc1cc2c([nH]c1=O)CCC(F)(F)C2
InChIInChI=1S/C10H9F2NO2/c11-10(12)2-1-8-6(4-10)3-7(5-14)9(15)13-8/h3,5H,1-2,4H2,(H,13,15)
InChIKeyIGLHTQVGCQJVFL-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.31
Rot. Bonds1

About 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde

6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde (PubChem CID 170632246) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
PubChem CID170632246
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
SMILESO=Cc1cc2c([nH]c1=O)CCC(F)(F)C2
InChIInChI=1S/C10H9F2NO2/c11-10(12)2-1-8-6(4-10)3-7(5-14)9(15)13-8/h3,5H,1-2,4H2,(H,13,15)
InChIKeyIGLHTQVGCQJVFL-UHFFFAOYSA-N
XLogP1.31
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,6-Difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane
CID 170632245
2-oxo-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 176208473
6,6-Difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 176208576
6,6-Difluoro-1,5,7,8-tetrahydroquinolin-2-one
CID 177913461
2-(Difluoromethyl)-6-hydroxy-3-methylpyridine-5-carboxaldehyde
CID 118820604
6-(Difluoromethyl)-2-hydroxy-5-(trifluoromethyl)nicotinaldehyde
CID 118997240
5-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083925
6-butyl-2-oxo-1H-pyridine-3-carbaldehyde
CID 15290981
2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbaldehyde
CID 82111428
6,6-Dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
CID 170632184
8-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde
CID 82111865
7-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde
CID 82111866

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde?
The IUPAC name of 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde (CID 170632246) is 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde.
What is the SMILES notation for 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde?
The canonical SMILES for 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde is O=Cc1cc2c([nH]c1=O)CCC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde?
The InChIKey is IGLHTQVGCQJVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-10(12)2-1-8-6(4-10)3-7(5-14)9(15)13-8/h3,5H,1-2,4H2,(H,13,15).
What are the key properties of 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde?
6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde has a molecular weight of 213.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde is sourced from PubChem (CID 170632246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).