4-fluoro-N-methyl-3-nitroaniline

C7H7FN2O2 — CID 63089505

IUPAC4-fluoro-N-methyl-3-nitroaniline
SMILESCNc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7FN2O2/c1-9-5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3
InChIKeyWJSBZDQUNMXGSY-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.78
Rot. Bonds2

About 4-fluoro-N-methyl-3-nitroaniline

4-fluoro-N-methyl-3-nitroaniline (PubChem CID 63089505) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-nitroaniline
PubChem CID63089505
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name4-fluoro-N-methyl-3-nitroaniline
SMILESCNc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7FN2O2/c1-9-5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3
InChIKeyWJSBZDQUNMXGSY-UHFFFAOYSA-N
XLogP1.78
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-3-nitroaniline
CID 154020303
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
4-fluoro-N-(3-methylsulfanylpropyl)-3-nitroaniline
CID 43719223
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
4-fluoro-N-(2-methylbutyl)-3-nitroaniline
CID 43719224
3-(4-fluoro-3-nitroanilino)-2-methylbutan-2-ol
CID 65338241
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 107812713
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-[(4-chlorophenyl)methyl]-4-fluoro-3-nitroaniline
CID 43232414
N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-nitroaniline?
The IUPAC name of 4-fluoro-N-methyl-3-nitroaniline (CID 63089505) is 4-fluoro-N-methyl-3-nitroaniline.
What is the SMILES notation for 4-fluoro-N-methyl-3-nitroaniline?
The canonical SMILES for 4-fluoro-N-methyl-3-nitroaniline is CNc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-methyl-3-nitroaniline?
The InChIKey is WJSBZDQUNMXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-9-5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3.
What are the key properties of 4-fluoro-N-methyl-3-nitroaniline?
4-fluoro-N-methyl-3-nitroaniline has a molecular weight of 170.14 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-nitroaniline is sourced from PubChem (CID 63089505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).