4-fluoro-N,2-dimethyl-3-nitroaniline

C8H9FN2O2 — CID 131053180

IUPAC4-fluoro-N,2-dimethyl-3-nitroaniline
SMILESCNc1ccc(F)c([N+](=O)[O-])c1C
InChIInChI=1S/C8H9FN2O2/c1-5-7(10-2)4-3-6(9)8(5)11(12)13/h3-4,10H,1-2H3
InChIKeyXQFXTGOWFKGJQJ-UHFFFAOYSA-N
MW184.17 g/mol
LogP2.08
Rot. Bonds2

About 4-fluoro-N,2-dimethyl-3-nitroaniline

4-fluoro-N,2-dimethyl-3-nitroaniline (PubChem CID 131053180) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-3-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-3-nitroaniline
PubChem CID131053180
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name4-fluoro-N,2-dimethyl-3-nitroaniline
SMILESCNc1ccc(F)c([N+](=O)[O-])c1C
InChIInChI=1S/C8H9FN2O2/c1-5-7(10-2)4-3-6(9)8(5)11(12)13/h3-4,10H,1-2H3
InChIKeyXQFXTGOWFKGJQJ-UHFFFAOYSA-N
XLogP2.08
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 52.08
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-2-methyl-3-nitrophenyl)carbamic acid
CID 174969971
3-fluoro-N,6-dimethyl-2-nitroaniline
CID 130936724
4-bromo-3-fluoro-N-methyl-2-nitroaniline;3-fluoro-N-methyl-2-nitroaniline
CID 155047884
6-bromo-3-fluoro-N-methyl-2-nitroaniline
CID 164567208
3-fluoro-1-N-methylbenzene-1,2-diamine;3-fluoro-N-methyl-2-nitroaniline;methane
CID 158262023
N-methyl-2,3-dinitroaniline
CID 12620251
4-fluoro-2-methyl-3-nitrobenzoyl chloride
CID 131056028
2,4-difluoro-N,3-dimethylaniline
CID 134441747
2-bromo-1,4-difluoro-3-nitrobenzene
CID 118807842
1-N-methyl-2-nitro-3-N-(2,4,5-trifluorophenyl)benzene-1,3-diamine
CID 80803787
N-methyl-3-methylsulfonyl-2-nitroaniline
CID 71377132
3-(fluoromethyl)-N-methyl-2-nitroaniline
CID 122662489

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-3-nitroaniline?
The IUPAC name of 4-fluoro-N,2-dimethyl-3-nitroaniline (CID 131053180) is 4-fluoro-N,2-dimethyl-3-nitroaniline.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-3-nitroaniline?
The canonical SMILES for 4-fluoro-N,2-dimethyl-3-nitroaniline is CNc1ccc(F)c([N+](=O)[O-])c1C.
What is the InChIKey of 4-fluoro-N,2-dimethyl-3-nitroaniline?
The InChIKey is XQFXTGOWFKGJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-5-7(10-2)4-3-6(9)8(5)11(12)13/h3-4,10H,1-2H3.
What are the key properties of 4-fluoro-N,2-dimethyl-3-nitroaniline?
4-fluoro-N,2-dimethyl-3-nitroaniline has a molecular weight of 184.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2-dimethyl-3-nitroaniline is sourced from PubChem (CID 131053180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).