4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde

C7H6FNO2 — CID 105430204

IUPAC4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
SMILESO=Cc1noc2c1C(F)CC2
InChIInChI=1S/C7H6FNO2/c8-4-1-2-6-7(4)5(3-10)9-11-6/h3-4H,1-2H2
InChIKeyLHEWMECLRGIZFW-UHFFFAOYSA-N
MW155.13 g/mol
LogP1.44
Rot. Bonds1

About 4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde

4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde (PubChem CID 105430204) has the molecular formula C7H6FNO2 and a molecular weight of 155.13 g/mol. Its IUPAC name is 4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
PubChem CID105430204
Molecular FormulaC7H6FNO2
Molecular Weight155.13 g/mol
Exact Mass155.04
IUPAC Name4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
SMILESO=Cc1noc2c1C(F)CC2
InChIInChI=1S/C7H6FNO2/c8-4-1-2-6-7(4)5(3-10)9-11-6/h3-4H,1-2H2
InChIKeyLHEWMECLRGIZFW-UHFFFAOYSA-N
XLogP1.44
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde?
The IUPAC name of 4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde (CID 105430204) is 4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde.
What is the SMILES notation for 4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde?
The canonical SMILES for 4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde is O=Cc1noc2c1C(F)CC2.
What is the InChIKey of 4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde?
The InChIKey is LHEWMECLRGIZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2/c8-4-1-2-6-7(4)5(3-10)9-11-6/h3-4H,1-2H2.
What are the key properties of 4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde?
4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde has a molecular weight of 155.13 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde is sourced from PubChem (CID 105430204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).