2-(2-fluoro-6-nitrophenoxy)benzaldehyde

C13H8FNO4 — CID 104831883

IUPAC2-(2-fluoro-6-nitrophenoxy)benzaldehyde
SMILESO=Cc1ccccc1Oc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H8FNO4/c14-10-5-3-6-11(15(17)18)13(10)19-12-7-2-1-4-9(12)8-16/h1-8H
InChIKeyMRZJPEPXTHTVEF-UHFFFAOYSA-N
MW261.21 g/mol
LogP3.34
Rot. Bonds4

About 2-(2-fluoro-6-nitrophenoxy)benzaldehyde

2-(2-fluoro-6-nitrophenoxy)benzaldehyde (PubChem CID 104831883) has the molecular formula C13H8FNO4 and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-(2-fluoro-6-nitrophenoxy)benzaldehyde.

Molecular Properties

Compound Name2-(2-fluoro-6-nitrophenoxy)benzaldehyde
PubChem CID104831883
Molecular FormulaC13H8FNO4
Molecular Weight261.21 g/mol
Exact Mass261.04
IUPAC Name2-(2-fluoro-6-nitrophenoxy)benzaldehyde
SMILESO=Cc1ccccc1Oc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H8FNO4/c14-10-5-3-6-11(15(17)18)13(10)19-12-7-2-1-4-9(12)8-16/h1-8H
InChIKeyMRZJPEPXTHTVEF-UHFFFAOYSA-N
XLogP3.34
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 53.34
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

[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942
2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 104831877
5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215
1-[2-(2-fluoro-6-nitrophenoxy)phenyl]propan-1-one
CID 104831813
(2-fluoro-6-nitrophenyl) methyl carbonate
CID 67247258
sodium 2-nitrobenzaldehyde
CID 23669302
2-chloro-6-(2-fluoro-6-nitrophenoxy)benzoic acid
CID 104831894
2-formyl-6-nitrophenolate
CID 4158950
ethane;2-nitrobenzaldehyde
CID 91029364
ethanol;2-nitrobenzaldehyde
CID 175129011
2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
CID 115955758
2-[(4-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
CID 115955783

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-nitrophenoxy)benzaldehyde?
The IUPAC name of 2-(2-fluoro-6-nitrophenoxy)benzaldehyde (CID 104831883) is 2-(2-fluoro-6-nitrophenoxy)benzaldehyde.
What is the SMILES notation for 2-(2-fluoro-6-nitrophenoxy)benzaldehyde?
The canonical SMILES for 2-(2-fluoro-6-nitrophenoxy)benzaldehyde is O=Cc1ccccc1Oc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-fluoro-6-nitrophenoxy)benzaldehyde?
The InChIKey is MRZJPEPXTHTVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO4/c14-10-5-3-6-11(15(17)18)13(10)19-12-7-2-1-4-9(12)8-16/h1-8H.
What are the key properties of 2-(2-fluoro-6-nitrophenoxy)benzaldehyde?
2-(2-fluoro-6-nitrophenoxy)benzaldehyde has a molecular weight of 261.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-nitrophenoxy)benzaldehyde is sourced from PubChem (CID 104831883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).