3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde

C14H9F2NO4 — CID 107689434

IUPAC3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2cc(F)cc([N+](=O)[O-])c2)c(F)c1
InChIInChI=1S/C14H9F2NO4/c15-11-3-10(4-12(6-11)17(19)20)8-21-14-2-1-9(7-18)5-13(14)16/h1-7H,8H2
InChIKeySWXYBBATHKHJNL-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.26
Rot. Bonds5

About 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde

3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde (PubChem CID 107689434) has the molecular formula C14H9F2NO4 and a molecular weight of 293.22 g/mol. Its IUPAC name is 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
PubChem CID107689434
Molecular FormulaC14H9F2NO4
Molecular Weight293.22 g/mol
Exact Mass293.05
IUPAC Name3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2cc(F)cc([N+](=O)[O-])c2)c(F)c1
InChIInChI=1S/C14H9F2NO4/c15-11-3-10(4-12(6-11)17(19)20)8-21-14-2-1-9(7-18)5-13(14)16/h1-7H,8H2
InChIKeySWXYBBATHKHJNL-UHFFFAOYSA-N
XLogP3.26
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]benzene
CID 107691619
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzonitrile
CID 107670429
2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 115980639
3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 115980652
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
3,4-bis[(4-nitrophenyl)methoxy]benzaldehyde
CID 50885590
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
4-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylaniline
CID 115981173
2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
CID 107662043
[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol
CID 115980729
4-(2,6-dichloro-4-nitrophenoxy)-3-fluorobenzaldehyde
CID 62098122
1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432395

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde (CID 107689434) is 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2cc(F)cc([N+](=O)[O-])c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is SWXYBBATHKHJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO4/c15-11-3-10(4-12(6-11)17(19)20)8-21-14-2-1-9(7-18)5-13(14)16/h1-7H,8H2.
What are the key properties of 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde?
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde has a molecular weight of 293.22 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 107689434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).