4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde

C10H8FNO3 — CID 87670002

IUPAC4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde
SMILESO=Cc1ccc(F)c(N2CCOC2=O)c1
InChIInChI=1S/C10H8FNO3/c11-8-2-1-7(6-13)5-9(8)12-3-4-15-10(12)14/h1-2,5-6H,3-4H2
InChIKeyUMTVMQWSAKNNBD-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.59
Rot. Bonds2

About 4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde

4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde (PubChem CID 87670002) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde
PubChem CID87670002
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde
SMILESO=Cc1ccc(F)c(N2CCOC2=O)c1
InChIInChI=1S/C10H8FNO3/c11-8-2-1-7(6-13)5-9(8)12-3-4-15-10(12)14/h1-2,5-6H,3-4H2
InChIKeyUMTVMQWSAKNNBD-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.59
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

3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one
CID 82015368
3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 21069848
3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde
CID 4165533
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
CID 57444342
4-(azetidin-1-yl)-3-fluorobenzaldehyde
CID 130547544
3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
4-fluoro-3-(2-methyl-5-oxopyrrolidin-1-yl)benzaldehyde
CID 86621143
3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one
CID 130498812
4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde
CID 59255459
3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 142270175

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde?
The IUPAC name of 4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde (CID 87670002) is 4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde.
What is the SMILES notation for 4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde?
The canonical SMILES for 4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde is O=Cc1ccc(F)c(N2CCOC2=O)c1.
What is the InChIKey of 4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde?
The InChIKey is UMTVMQWSAKNNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-8-2-1-7(6-13)5-9(8)12-3-4-15-10(12)14/h1-2,5-6H,3-4H2.
What are the key properties of 4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde?
4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde has a molecular weight of 209.18 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde is sourced from PubChem (CID 87670002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).