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

C16H27F2NO2 — CID 170632245

IUPAC6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane
SMILESCC.CC.CC.O=Cc1cc2c([nH]c1=O)CCC(F)(F)C2
InChIInChI=1S/C10H9F2NO2.3C2H6/c11-10(12)2-1-8-6(4-10)3-7(5-14)9(15)13-8;3*1-2/h3,5H,1-2,4H2,(H,13,15);3*1-2H3
InChIKeyYKHIUXIPJUYIFY-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.39
Rot. Bonds1

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

6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane (PubChem CID 170632245) has the molecular formula C16H27F2NO2 and a molecular weight of 303.39 g/mol. Its IUPAC name is 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane.

Molecular Properties

Compound Name6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane
PubChem CID170632245
Molecular FormulaC16H27F2NO2
Molecular Weight303.39 g/mol
Exact Mass303.20
IUPAC Name6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane
SMILESCC.CC.CC.O=Cc1cc2c([nH]c1=O)CCC(F)(F)C2
InChIInChI=1S/C10H9F2NO2.3C2H6/c11-10(12)2-1-8-6(4-10)3-7(5-14)9(15)13-8;3*1-2/h3,5H,1-2,4H2,(H,13,15);3*1-2H3
InChIKeyYKHIUXIPJUYIFY-UHFFFAOYSA-N
XLogP4.39
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.39
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-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
CID 170632184
3-(6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinolin-3-yl)-2-formamidopropanamide
CID 170632176
(5,5-difluoro-1,4,6,7-tetrahydroindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 50913257
4-fluoro-5-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phthalaldehyde
CID 169257457
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde
CID 141308014
6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112200
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084830
7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
CID 22690268
6-chloro-7-[(3,3-difluorocyclobutyl)methoxy]-2-oxo-1H-quinoline-3-carbaldehyde
CID 118953696
3-methyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 146432464
(E)-3-(6-ethyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-2-enoic acid
CID 82521693

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane?
The IUPAC name of 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane (CID 170632245) is 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane.
What is the SMILES notation for 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane?
The canonical SMILES for 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane is CC.CC.CC.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;ethane?
The InChIKey is YKHIUXIPJUYIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2.3C2H6/c11-10(12)2-1-8-6(4-10)3-7(5-14)9(15)13-8;3*1-2/h3,5H,1-2,4H2,(H,13,15);3*1-2H3.
What are the key properties of 6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane?
6,6-difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde;ethane has a molecular weight of 303.39 g/mol, XLogP of 4.39, 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;ethane is sourced from PubChem (CID 170632245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).