1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde

C9H8FNO2 — CID 141282360

IUPAC1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde
SMILESO=Cc1ccc(=O)n2c1C(F)CC2
InChIInChI=1S/C9H8FNO2/c10-7-3-4-11-8(13)2-1-6(5-12)9(7)11/h1-2,5,7H,3-4H2
InChIKeyFMTJVPMIQNFVJQ-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.08
Rot. Bonds1

About 1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde

1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde (PubChem CID 141282360) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde.

Molecular Properties

Compound Name1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde
PubChem CID141282360
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde
SMILESO=Cc1ccc(=O)n2c1C(F)CC2
InChIInChI=1S/C9H8FNO2/c10-7-3-4-11-8(13)2-1-6(5-12)9(7)11/h1-2,5,7H,3-4H2
InChIKeyFMTJVPMIQNFVJQ-UHFFFAOYSA-N
XLogP1.08
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 122623743
1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
CID 122633271
5-Fluoro-6-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carbaldehyde
CID 166683193
8-acetyl-2,3-dihydro-1H-indolizin-5-one
CID 15420999
5-Oxo-1,2,3,5-tetrahydro-7-indolizinecarbaldehyde
CID 57486894
5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CID 68467106
8-propanoyl-2,3-dihydro-1H-indolizin-5-one
CID 123940299
7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde
CID 143806424
1,2,3,5-Tetrahydroindolizine-8-carbaldehyde
CID 144076963
ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
CID 145172125
3-oxo-6,7-dihydro-5H-indolizine-8-carbaldehyde
CID 15480599
3-(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)propanal
CID 104247837

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde?
The IUPAC name of 1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde (CID 141282360) is 1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde.
What is the SMILES notation for 1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde?
The canonical SMILES for 1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde is O=Cc1ccc(=O)n2c1C(F)CC2.
What is the InChIKey of 1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde?
The InChIKey is FMTJVPMIQNFVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-7-3-4-11-8(13)2-1-6(5-12)9(7)11/h1-2,5,7H,3-4H2.
What are the key properties of 1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde?
1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde has a molecular weight of 181.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde is sourced from PubChem (CID 141282360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).