4-fluoro-N-methoxy-3-nitroaniline

C7H7FN2O3 — CID 154020303

IUPAC4-fluoro-N-methoxy-3-nitroaniline
SMILESCONc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7FN2O3/c1-13-9-5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3
InChIKeyZRLCEXNAGMVERQ-UHFFFAOYSA-N
MW186.14 g/mol
LogP1.71
Rot. Bonds3

About 4-fluoro-N-methoxy-3-nitroaniline

4-fluoro-N-methoxy-3-nitroaniline (PubChem CID 154020303) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 4-fluoro-N-methoxy-3-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N-methoxy-3-nitroaniline
PubChem CID154020303
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name4-fluoro-N-methoxy-3-nitroaniline
SMILESCONc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7FN2O3/c1-13-9-5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3
InChIKeyZRLCEXNAGMVERQ-UHFFFAOYSA-N
XLogP1.71
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 51.71
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

4-fluoro-N-methyl-3-nitroaniline
CID 63089505
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
methyl 4-fluoro-3-nitrobenzoate
CID 5219721
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 107812713
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776180
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
3-(4-fluoro-3-nitroanilino)-2-methylbutan-2-ol
CID 65338241
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112787411
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methoxy-3-nitroaniline?
The IUPAC name of 4-fluoro-N-methoxy-3-nitroaniline (CID 154020303) is 4-fluoro-N-methoxy-3-nitroaniline.
What is the SMILES notation for 4-fluoro-N-methoxy-3-nitroaniline?
The canonical SMILES for 4-fluoro-N-methoxy-3-nitroaniline is CONc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-methoxy-3-nitroaniline?
The InChIKey is ZRLCEXNAGMVERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-13-9-5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3.
What are the key properties of 4-fluoro-N-methoxy-3-nitroaniline?
4-fluoro-N-methoxy-3-nitroaniline has a molecular weight of 186.14 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methoxy-3-nitroaniline is sourced from PubChem (CID 154020303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).