3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde

C14H10FNO4 — CID 103850077

IUPAC3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H10FNO4/c15-12-7-10(8-17)5-6-14(12)20-9-11-3-1-2-4-13(11)16(18)19/h1-8H,9H2
InChIKeyXUZIQFOEEXOKHN-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.13
Rot. Bonds5

About 3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde

3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde (PubChem CID 103850077) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
PubChem CID103850077
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H10FNO4/c15-12-7-10(8-17)5-6-14(12)20-9-11-3-1-2-4-13(11)16(18)19/h1-8H,9H2
InChIKeyXUZIQFOEEXOKHN-UHFFFAOYSA-N
XLogP3.13
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.13
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'}

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Related Compounds

4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde
CID 158803973
4-bromo-2-fluoro-1-[(2-nitrophenyl)methoxy]benzene
CID 112788058
4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
CID 114849387
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434
2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde
CID 11500210
3-nitro-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 55108248
4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
CID 142459215
4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
CID 107689565
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene
CID 58864026
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8641124

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde (CID 103850077) is 3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccccc2[N+](=O)[O-])c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is XUZIQFOEEXOKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-12-7-10(8-17)5-6-14(12)20-9-11-3-1-2-4-13(11)16(18)19/h1-8H,9H2.
What are the key properties of 3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde?
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde has a molecular weight of 275.24 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 103850077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).