3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline

C12H7ClF2N2O2 — CID 80752174

IUPAC3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
SMILESO=[N+]([O-])c1cc(F)cc(Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C12H7ClF2N2O2/c13-10-2-1-3-11(12(10)15)16-8-4-7(14)5-9(6-8)17(18)19/h1-6,16H
InChIKeyKWMLFJNWQUGJOP-UHFFFAOYSA-N
MW284.65 g/mol
LogP4.27
Rot. Bonds3

About 3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline

3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline (PubChem CID 80752174) has the molecular formula C12H7ClF2N2O2 and a molecular weight of 284.65 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
PubChem CID80752174
Molecular FormulaC12H7ClF2N2O2
Molecular Weight284.65 g/mol
Exact Mass284.02
IUPAC Name3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
SMILESO=[N+]([O-])c1cc(F)cc(Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C12H7ClF2N2O2/c13-10-2-1-3-11(12(10)15)16-8-4-7(14)5-9(6-8)17(18)19/h1-6,16H
InChIKeyKWMLFJNWQUGJOP-UHFFFAOYSA-N
XLogP4.27
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 54.27
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

3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107576838
3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline
CID 104838755
N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine
CID 80753070
N-[(2,6-dichlorophenyl)methyl]-3-fluoro-5-nitroaniline
CID 107334655
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline
CID 80752800
3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
CID 80752071
4-chloro-2-(3-fluoro-5-nitroanilino)benzonitrile
CID 80748231
2-chloro-6-[(3-fluoro-5-nitroanilino)methyl]phenol
CID 107334735
2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107645553
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylaniline
CID 80751738
5-bromo-N-(3-fluoro-5-nitrophenyl)-2-methylaniline
CID 80752415

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline?
The IUPAC name of 3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline (CID 80752174) is 3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline is O=[N+]([O-])c1cc(F)cc(Nc2cccc(Cl)c2F)c1.
What is the InChIKey of 3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline?
The InChIKey is KWMLFJNWQUGJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O2/c13-10-2-1-3-11(12(10)15)16-8-4-7(14)5-9(6-8)17(18)19/h1-6,16H.
What are the key properties of 3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline?
3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline has a molecular weight of 284.65 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline is sourced from PubChem (CID 80752174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).