1-(2-fluorophenoxy)-2,4-dinitrobenzene

C12H7FN2O5 — CID 9212888

IUPAC1-(2-fluorophenoxy)-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H7FN2O5/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h1-7H
InChIKeyROJYCBSLZYFFMD-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.43
Rot. Bonds4

About 1-(2-fluorophenoxy)-2,4-dinitrobenzene

1-(2-fluorophenoxy)-2,4-dinitrobenzene (PubChem CID 9212888) has the molecular formula C12H7FN2O5 and a molecular weight of 278.19 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-2,4-dinitrobenzene.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-2,4-dinitrobenzene
PubChem CID9212888
Molecular FormulaC12H7FN2O5
Molecular Weight278.19 g/mol
Exact Mass278.03
IUPAC Name1-(2-fluorophenoxy)-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H7FN2O5/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h1-7H
InChIKeyROJYCBSLZYFFMD-UHFFFAOYSA-N
XLogP3.43
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(bromomethyl)-1-(2-fluorophenoxy)-2-nitrobenzene
CID 107086880
[2-(2-fluorophenoxy)-5-nitrophenyl]methanol
CID 28964127
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
3-(2,4-dinitrophenoxy)benzene-1,2-diol
CID 174671523
1,4-bis(2,4-dinitrophenoxy)-2,3-dimethylbenzene
CID 141163009
1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene
CID 139793344
2-fluoro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 79515985
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251
3-bromo-2-chloro-1-(2-fluorophenoxy)-4-nitrobenzene
CID 170690088
8-(2,4-dinitrophenoxy)quinoline
CID 1422298
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
CID 114673157

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-2,4-dinitrobenzene?
The IUPAC name of 1-(2-fluorophenoxy)-2,4-dinitrobenzene (CID 9212888) is 1-(2-fluorophenoxy)-2,4-dinitrobenzene.
What is the SMILES notation for 1-(2-fluorophenoxy)-2,4-dinitrobenzene?
The canonical SMILES for 1-(2-fluorophenoxy)-2,4-dinitrobenzene is O=[N+]([O-])c1ccc(Oc2ccccc2F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(2-fluorophenoxy)-2,4-dinitrobenzene?
The InChIKey is ROJYCBSLZYFFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O5/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h1-7H.
What are the key properties of 1-(2-fluorophenoxy)-2,4-dinitrobenzene?
1-(2-fluorophenoxy)-2,4-dinitrobenzene has a molecular weight of 278.19 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-2,4-dinitrobenzene is sourced from PubChem (CID 9212888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).