2-fluoro-3-methoxy-N-methyl-6-nitroaniline

C8H9FN2O3 — CID 66749284

IUPAC2-fluoro-3-methoxy-N-methyl-6-nitroaniline
SMILESCNc1c([N+](=O)[O-])ccc(OC)c1F
InChIInChI=1S/C8H9FN2O3/c1-10-8-5(11(12)13)3-4-6(14-2)7(8)9/h3-4,10H,1-2H3
InChIKeyWWWQUXMJLTVYLW-UHFFFAOYSA-N
MW200.17 g/mol
LogP1.78
Rot. Bonds3

About 2-fluoro-3-methoxy-N-methyl-6-nitroaniline

2-fluoro-3-methoxy-N-methyl-6-nitroaniline (PubChem CID 66749284) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N-methyl-6-nitroaniline.

Molecular Properties

Compound Name2-fluoro-3-methoxy-N-methyl-6-nitroaniline
PubChem CID66749284
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-fluoro-3-methoxy-N-methyl-6-nitroaniline
SMILESCNc1c([N+](=O)[O-])ccc(OC)c1F
InChIInChI=1S/C8H9FN2O3/c1-10-8-5(11(12)13)3-4-6(14-2)7(8)9/h3-4,10H,1-2H3
InChIKeyWWWQUXMJLTVYLW-UHFFFAOYSA-N
XLogP1.78
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
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

2-fluoro-6-methoxy-3-nitrobenzaldehyde
CID 138561888
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene
CID 58071374
1,5-dimethoxy-4,8-dinitroanthracene-9,10-dione
CID 21413446
6-(2-methoxyphenyl)-2-(methylamino)-3-nitrobenzonitrile
CID 59218653
2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
CID 131213041
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
N-(4-fluorophenyl)-3-methoxy-4-nitroaniline
CID 165348720
methyl 2-formyl-6-methoxy-3-nitrobenzoate
CID 171023954
6-methoxy-2-methyl-3-nitrophenol
CID 10058181
3-bromo-1-methoxy-2-methyl-4-nitrobenzene
CID 53416656
1-N-(3-fluoro-4-methoxyphenyl)-4-nitrobenzene-1,3-diamine
CID 106751443

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-N-methyl-6-nitroaniline?
The IUPAC name of 2-fluoro-3-methoxy-N-methyl-6-nitroaniline (CID 66749284) is 2-fluoro-3-methoxy-N-methyl-6-nitroaniline.
What is the SMILES notation for 2-fluoro-3-methoxy-N-methyl-6-nitroaniline?
The canonical SMILES for 2-fluoro-3-methoxy-N-methyl-6-nitroaniline is CNc1c([N+](=O)[O-])ccc(OC)c1F.
What is the InChIKey of 2-fluoro-3-methoxy-N-methyl-6-nitroaniline?
The InChIKey is WWWQUXMJLTVYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-10-8-5(11(12)13)3-4-6(14-2)7(8)9/h3-4,10H,1-2H3.
What are the key properties of 2-fluoro-3-methoxy-N-methyl-6-nitroaniline?
2-fluoro-3-methoxy-N-methyl-6-nitroaniline has a molecular weight of 200.17 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-N-methyl-6-nitroaniline is sourced from PubChem (CID 66749284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).