5-fluoro-N-(3-fluorophenyl)-2-nitroaniline

C12H8F2N2O2 — CID 58459318

IUPAC5-fluoro-N-(3-fluorophenyl)-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(F)cc1Nc1cccc(F)c1
InChIInChI=1S/C12H8F2N2O2/c13-8-2-1-3-10(6-8)15-11-7-9(14)4-5-12(11)16(17)18/h1-7,15H
InChIKeyVUBCLNZWQOJRND-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.62
Rot. Bonds3

About 5-fluoro-N-(3-fluorophenyl)-2-nitroaniline

5-fluoro-N-(3-fluorophenyl)-2-nitroaniline (PubChem CID 58459318) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 5-fluoro-N-(3-fluorophenyl)-2-nitroaniline.

Molecular Properties

Compound Name5-fluoro-N-(3-fluorophenyl)-2-nitroaniline
PubChem CID58459318
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name5-fluoro-N-(3-fluorophenyl)-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(F)cc1Nc1cccc(F)c1
InChIInChI=1S/C12H8F2N2O2/c13-8-2-1-3-10(6-8)15-11-7-9(14)4-5-12(11)16(17)18/h1-7,15H
InChIKeyVUBCLNZWQOJRND-UHFFFAOYSA-N
XLogP3.62
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 53.62
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

N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 58459332
4-bromo-N-(3-fluorophenyl)-2-nitroaniline
CID 63462016
5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline
CID 18994149
6-chloro-N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 86680902
1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)carbamoylamino]-4-nitrophenyl]urea
CID 4142280
5-fluoro-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 58459238
2-bromo-5-(5-fluoro-2-nitroanilino)benzoic acid
CID 115296189
3-(4-fluoroanilino)-4-nitrobenzonitrile
CID 118938253
5-fluoro-2-nitro-N-[(3-nitrophenyl)methyl]aniline
CID 62504025
N-(5-fluoro-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine
CID 79107216
N-[(3-bromophenyl)methyl]-5-fluoro-2-nitroaniline
CID 58707323
N-[(3-chlorophenyl)methyl]-5-fluoro-2-nitroaniline
CID 58707301

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-fluorophenyl)-2-nitroaniline?
The IUPAC name of 5-fluoro-N-(3-fluorophenyl)-2-nitroaniline (CID 58459318) is 5-fluoro-N-(3-fluorophenyl)-2-nitroaniline.
What is the SMILES notation for 5-fluoro-N-(3-fluorophenyl)-2-nitroaniline?
The canonical SMILES for 5-fluoro-N-(3-fluorophenyl)-2-nitroaniline is O=[N+]([O-])c1ccc(F)cc1Nc1cccc(F)c1.
What is the InChIKey of 5-fluoro-N-(3-fluorophenyl)-2-nitroaniline?
The InChIKey is VUBCLNZWQOJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-8-2-1-3-10(6-8)15-11-7-9(14)4-5-12(11)16(17)18/h1-7,15H.
What are the key properties of 5-fluoro-N-(3-fluorophenyl)-2-nitroaniline?
5-fluoro-N-(3-fluorophenyl)-2-nitroaniline has a molecular weight of 250.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-fluorophenyl)-2-nitroaniline is sourced from PubChem (CID 58459318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).