3-fluoro-N,6-dimethyl-2-nitroaniline

C8H9FN2O2 — CID 130936724

IUPAC3-fluoro-N,6-dimethyl-2-nitroaniline
SMILESCNc1c(C)ccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H9FN2O2/c1-5-3-4-6(9)8(11(12)13)7(5)10-2/h3-4,10H,1-2H3
InChIKeyQNMYYUZLFATTHO-UHFFFAOYSA-N
MW184.17 g/mol
LogP2.08
Rot. Bonds2

About 3-fluoro-N,6-dimethyl-2-nitroaniline

3-fluoro-N,6-dimethyl-2-nitroaniline (PubChem CID 130936724) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 3-fluoro-N,6-dimethyl-2-nitroaniline.

Molecular Properties

Compound Name3-fluoro-N,6-dimethyl-2-nitroaniline
PubChem CID130936724
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name3-fluoro-N,6-dimethyl-2-nitroaniline
SMILESCNc1c(C)ccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H9FN2O2/c1-5-3-4-6(9)8(11(12)13)7(5)10-2/h3-4,10H,1-2H3
InChIKeyQNMYYUZLFATTHO-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

6-bromo-3-fluoro-N-methyl-2-nitroaniline
CID 164567208
4-fluoro-N,2-dimethyl-3-nitroaniline
CID 131053180
2-chloro-1-fluoro-4-methyl-3-nitrobenzene
CID 130807356
N,2,6-trimethyl-3-nitroaniline
CID 126991962
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
1,2,4-trifluoro-5-methyl-3-nitrobenzene
CID 23616418
1-fluoro-3-isocyanato-4-methyl-2-nitrobenzene
CID 171030435
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
2-(difluoromethoxy)-1-fluoro-4-methyl-3-nitrobenzene
CID 135743532
2-chloro-6-fluoro-N,3-dimethylaniline
CID 174640789
(4-fluoro-2-methyl-3-nitrophenyl)carbamic acid
CID 174969971
2-bromo-1,4-difluoro-3-nitrobenzene
CID 118807842

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,6-dimethyl-2-nitroaniline?
The IUPAC name of 3-fluoro-N,6-dimethyl-2-nitroaniline (CID 130936724) is 3-fluoro-N,6-dimethyl-2-nitroaniline.
What is the SMILES notation for 3-fluoro-N,6-dimethyl-2-nitroaniline?
The canonical SMILES for 3-fluoro-N,6-dimethyl-2-nitroaniline is CNc1c(C)ccc(F)c1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-N,6-dimethyl-2-nitroaniline?
The InChIKey is QNMYYUZLFATTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-5-3-4-6(9)8(11(12)13)7(5)10-2/h3-4,10H,1-2H3.
What are the key properties of 3-fluoro-N,6-dimethyl-2-nitroaniline?
3-fluoro-N,6-dimethyl-2-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 3-fluoro-N,6-dimethyl-2-nitroaniline is sourced from PubChem (CID 130936724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).