3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline

C12H10F2N4O2 — CID 80928323

IUPAC3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
SMILESNNc1cc(Nc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10F2N4O2/c13-11-2-1-7(6-12(11)14)16-8-3-9(17-15)5-10(4-8)18(19)20/h1-6,16-17H,15H2
InChIKeyZQALUQJWIIDMRN-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.90
Rot. Bonds4

About 3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline

3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline (PubChem CID 80928323) has the molecular formula C12H10F2N4O2 and a molecular weight of 280.23 g/mol. Its IUPAC name is 3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
PubChem CID80928323
Molecular FormulaC12H10F2N4O2
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC Name3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
SMILESNNc1cc(Nc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10F2N4O2/c13-11-2-1-7(6-12(11)14)16-8-3-9(17-15)5-10(4-8)18(19)20/h1-6,16-17H,15H2
InChIKeyZQALUQJWIIDMRN-UHFFFAOYSA-N
XLogP2.90
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-N-(3,4-difluorophenyl)-5-nitrobenzene-1,3-diamine
CID 80762616
N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine
CID 114071519
3-bromo-N-(3-hydrazinyl-5-nitrophenyl)-4-methylaniline
CID 80914442
3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928854
3-N-(3-fluoro-4-methylphenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80762004
3-N-(4-chloro-3-fluorophenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80804203
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylaniline
CID 80751738
2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 83075238
2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile
CID 80898392
5-nitro-3-N-(3,4,5-trifluorophenyl)benzene-1,3-diamine
CID 80824941
3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
CID 80752071
5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline
CID 80911480

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
The IUPAC name of 3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline (CID 80928323) is 3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline.
What is the SMILES notation for 3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
The canonical SMILES for 3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline is NNc1cc(Nc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
The InChIKey is ZQALUQJWIIDMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2/c13-11-2-1-7(6-12(11)14)16-8-3-9(17-15)5-10(4-8)18(19)20/h1-6,16-17H,15H2.
What are the key properties of 3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline has a molecular weight of 280.23 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline is sourced from PubChem (CID 80928323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).