2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene

C13H9FN2O6 — CID 154791901

IUPAC2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H9FN2O6/c1-21-12-5-3-9(16(19)20)7-13(12)22-11-4-2-8(15(17)18)6-10(11)14/h2-7H,1H3
InChIKeyOPNHQQIZHMUPMR-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene

2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene (PubChem CID 154791901) has the molecular formula C13H9FN2O6 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
PubChem CID154791901
Molecular FormulaC13H9FN2O6
Molecular Weight308.22 g/mol
Exact Mass308.04
IUPAC Name2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H9FN2O6/c1-21-12-5-3-9(16(19)20)7-13(12)22-11-4-2-8(15(17)18)6-10(11)14/h2-7H,1H3
InChIKeyOPNHQQIZHMUPMR-UHFFFAOYSA-N
XLogP3.44
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene
CID 61031938
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
5-chloro-2-(2-methoxy-5-nitrophenoxy)benzonitrile
CID 62493404
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214
2-fluoro-6-(2-methoxy-5-nitrophenoxy)pyridine
CID 61227798
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870869
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
1-fluoro-2-methoxy-4-nitrobenzene;2-fluoro-5-nitrophenol;iodomethane
CID 159872885
4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine
CID 59852937
4-(2-fluoro-4-nitrophenoxy)-3-methylbenzonitrile
CID 51892162
[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 114846141

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene?
The IUPAC name of 2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene (CID 154791901) is 2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene?
The canonical SMILES for 2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene is COc1ccc([N+](=O)[O-])cc1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene?
The InChIKey is OPNHQQIZHMUPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O6/c1-21-12-5-3-9(16(19)20)7-13(12)22-11-4-2-8(15(17)18)6-10(11)14/h2-7H,1H3.
What are the key properties of 2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene?
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene has a molecular weight of 308.22 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene is sourced from PubChem (CID 154791901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).