1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene

C13H10FNO4 — CID 62663819

IUPAC1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
SMILESCOc1ccc(Oc2cccc(F)c2[N+](=O)[O-])cc1
InChIInChI=1S/C13H10FNO4/c1-18-9-5-7-10(8-6-9)19-12-4-2-3-11(14)13(12)15(16)17/h2-8H,1H3
InChIKeyCITAEPQHNQPGSR-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.53
Rot. Bonds4

About 1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene

1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene (PubChem CID 62663819) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene.

Molecular Properties

Compound Name1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
PubChem CID62663819
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
SMILESCOc1ccc(Oc2cccc(F)c2[N+](=O)[O-])cc1
InChIInChI=1S/C13H10FNO4/c1-18-9-5-7-10(8-6-9)19-12-4-2-3-11(14)13(12)15(16)17/h2-8H,1H3
InChIKeyCITAEPQHNQPGSR-UHFFFAOYSA-N
XLogP3.53
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene
CID 62662926
1-(3-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665261
7-(3-fluoro-2-nitrophenoxy)quinoline
CID 107313631
1-(3-bromo-5-fluorophenoxy)-3-fluoro-2-nitrobenzene
CID 81331353
2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene
CID 62663992
3-(3-fluoro-2-nitrophenoxy)quinoline
CID 107387070
1-fluoro-2-nitro-3-propan-2-yloxybenzene
CID 53255569
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
1-fluoro-3-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-nitrobenzene
CID 118470642
3-(4-chlorophenoxy)-2-nitroaniline
CID 80864379
1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene
CID 62663989
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene?
The IUPAC name of 1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene (CID 62663819) is 1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene.
What is the SMILES notation for 1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene?
The canonical SMILES for 1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene is COc1ccc(Oc2cccc(F)c2[N+](=O)[O-])cc1.
What is the InChIKey of 1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene?
The InChIKey is CITAEPQHNQPGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c1-18-9-5-7-10(8-6-9)19-12-4-2-3-11(14)13(12)15(16)17/h2-8H,1H3.
What are the key properties of 1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene?
1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene has a molecular weight of 263.22 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene is sourced from PubChem (CID 62663819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).