3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde

C11H10FNO4 — CID 107689602

IUPAC3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCC2CNC(=O)O2)c(F)c1
InChIInChI=1S/C11H10FNO4/c12-9-3-7(5-14)1-2-10(9)16-6-8-4-13-11(15)17-8/h1-3,5,8H,4,6H2,(H,13,15)
InChIKeyKZTZHNHJTZDRFR-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.13
Rot. Bonds4

About 3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde

3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde (PubChem CID 107689602) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde
PubChem CID107689602
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCC2CNC(=O)O2)c(F)c1
InChIInChI=1S/C11H10FNO4/c12-9-3-7(5-14)1-2-10(9)16-6-8-4-13-11(15)17-8/h1-3,5,8H,4,6H2,(H,13,15)
InChIKeyKZTZHNHJTZDRFR-UHFFFAOYSA-N
XLogP1.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
CID 43826140
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 134123269
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107695754
5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60878892
CID 66849130
CID 66849130
5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107696499
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 117095688
5-[[2-(aminomethyl)-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 55205308
5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63364467

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde (CID 107689602) is 3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde is O=Cc1ccc(OCC2CNC(=O)O2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde?
The InChIKey is KZTZHNHJTZDRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c12-9-3-7(5-14)1-2-10(9)16-6-8-4-13-11(15)17-8/h1-3,5,8H,4,6H2,(H,13,15).
What are the key properties of 3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde?
3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde has a molecular weight of 239.20 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde is sourced from PubChem (CID 107689602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).