N,3-difluoro-2-nitroaniline

C6H4F2N2O2 — CID 87619715

IUPACN,3-difluoro-2-nitroaniline
SMILESO=[N+]([O-])c1c(F)cccc1NF
InChIInChI=1S/C6H4F2N2O2/c7-4-2-1-3-5(9-8)6(4)10(11)12/h1-3,9H
InChIKeyHXPJACDGXGQUKQ-UHFFFAOYSA-N
MW174.11 g/mol
LogP2.03
Rot. Bonds2

About N,3-difluoro-2-nitroaniline

N,3-difluoro-2-nitroaniline (PubChem CID 87619715) has the molecular formula C6H4F2N2O2 and a molecular weight of 174.11 g/mol. Its IUPAC name is N,3-difluoro-2-nitroaniline.

Molecular Properties

Compound NameN,3-difluoro-2-nitroaniline
PubChem CID87619715
Molecular FormulaC6H4F2N2O2
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC NameN,3-difluoro-2-nitroaniline
SMILESO=[N+]([O-])c1c(F)cccc1NF
InChIInChI=1S/C6H4F2N2O2/c7-4-2-1-3-5(9-8)6(4)10(11)12/h1-3,9H
InChIKeyHXPJACDGXGQUKQ-UHFFFAOYSA-N
XLogP2.03
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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-fluoro-1-N-methylbenzene-1,2-diamine;3-fluoro-N-methyl-2-nitroaniline;methane
CID 158262023
3-fluoro-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107645666
2-(3-fluoro-2-nitroanilino)propan-1-ol
CID 60789950
N-(2,2-dimethylcyclopropyl)-3-fluoro-2-nitroaniline
CID 61397699
2-N-(3-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733586
4-bromo-3-fluoro-N-methyl-2-nitroaniline;3-fluoro-N-methyl-2-nitroaniline
CID 155047884
N-(2-bromo-5-fluorophenyl)-3-fluoro-2-nitroaniline
CID 107637212
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-nitroaniline
CID 61226059
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80927963
2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 60789586
N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride
CID 53255785
methyl 2-(3-fluoro-2-nitroanilino)propanoate
CID 60790084

Frequently Asked Questions

What is the IUPAC name of N,3-difluoro-2-nitroaniline?
The IUPAC name of N,3-difluoro-2-nitroaniline (CID 87619715) is N,3-difluoro-2-nitroaniline.
What is the SMILES notation for N,3-difluoro-2-nitroaniline?
The canonical SMILES for N,3-difluoro-2-nitroaniline is O=[N+]([O-])c1c(F)cccc1NF.
What is the InChIKey of N,3-difluoro-2-nitroaniline?
The InChIKey is HXPJACDGXGQUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O2/c7-4-2-1-3-5(9-8)6(4)10(11)12/h1-3,9H.
What are the key properties of N,3-difluoro-2-nitroaniline?
N,3-difluoro-2-nitroaniline has a molecular weight of 174.11 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-difluoro-2-nitroaniline is sourced from PubChem (CID 87619715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).