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

C8H9FN2O2 — CID 131699647

IUPAC2-fluoro-N,N-dimethyl-3-nitroaniline
SMILESCN(C)c1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C8H9FN2O2/c1-10(2)6-4-3-5-7(8(6)9)11(12)13/h3-5H,1-2H3
InChIKeyHZPXEZMFZSFODB-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.80
Rot. Bonds2

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

2-fluoro-N,N-dimethyl-3-nitroaniline (PubChem CID 131699647) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-3-nitroaniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-3-nitroaniline
PubChem CID131699647
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-fluoro-N,N-dimethyl-3-nitroaniline
SMILESCN(C)c1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C8H9FN2O2/c1-10(2)6-4-3-5-7(8(6)9)11(12)13/h3-5H,1-2H3
InChIKeyHZPXEZMFZSFODB-UHFFFAOYSA-N
XLogP1.80
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
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

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methyl 2-[(2-fluoro-3-nitrophenyl)methyl-methylamino]acetate
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N,2-difluoro-N-methyl-6-nitroaniline
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N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
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1,2,3,4,5-pentafluoro-6-(2-fluoro-3-nitrophenyl)benzene
CID 134617355
2-fluoro-3-nitrobenzonitrile
CID 23291017
1-(difluoromethyl)-2-fluoro-3-nitrobenzene
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4-fluoro-N-methyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-3-nitroaniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-3-nitroaniline (CID 131699647) is 2-fluoro-N,N-dimethyl-3-nitroaniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-3-nitroaniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-3-nitroaniline is CN(C)c1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 2-fluoro-N,N-dimethyl-3-nitroaniline?
The InChIKey is HZPXEZMFZSFODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-10(2)6-4-3-5-7(8(6)9)11(12)13/h3-5H,1-2H3.
What are the key properties of 2-fluoro-N,N-dimethyl-3-nitroaniline?
2-fluoro-N,N-dimethyl-3-nitroaniline has a molecular weight of 184.17 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-3-nitroaniline is sourced from PubChem (CID 131699647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).