4-chloro-2-(4-fluoro-2-nitroanilino)phenol

C12H8ClFN2O3 — CID 19771128

IUPAC4-chloro-2-(4-fluoro-2-nitroanilino)phenol
SMILESO=[N+]([O-])c1cc(F)ccc1Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H8ClFN2O3/c13-7-1-4-12(17)10(5-7)15-9-3-2-8(14)6-11(9)16(18)19/h1-6,15,17H
InChIKeyAKIOXSFQIPXSMK-UHFFFAOYSA-N
MW282.66 g/mol
LogP3.84
Rot. Bonds3

About 4-chloro-2-(4-fluoro-2-nitroanilino)phenol

4-chloro-2-(4-fluoro-2-nitroanilino)phenol (PubChem CID 19771128) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is 4-chloro-2-(4-fluoro-2-nitroanilino)phenol.

Molecular Properties

Compound Name4-chloro-2-(4-fluoro-2-nitroanilino)phenol
PubChem CID19771128
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name4-chloro-2-(4-fluoro-2-nitroanilino)phenol
SMILESO=[N+]([O-])c1cc(F)ccc1Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H8ClFN2O3/c13-7-1-4-12(17)10(5-7)15-9-3-2-8(14)6-11(9)16(18)19/h1-6,15,17H
InChIKeyAKIOXSFQIPXSMK-UHFFFAOYSA-N
XLogP3.84
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluoro-2-nitroanilino)phenol?
The IUPAC name of 4-chloro-2-(4-fluoro-2-nitroanilino)phenol (CID 19771128) is 4-chloro-2-(4-fluoro-2-nitroanilino)phenol.
What is the SMILES notation for 4-chloro-2-(4-fluoro-2-nitroanilino)phenol?
The canonical SMILES for 4-chloro-2-(4-fluoro-2-nitroanilino)phenol is O=[N+]([O-])c1cc(F)ccc1Nc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(4-fluoro-2-nitroanilino)phenol?
The InChIKey is AKIOXSFQIPXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c13-7-1-4-12(17)10(5-7)15-9-3-2-8(14)6-11(9)16(18)19/h1-6,15,17H.
What are the key properties of 4-chloro-2-(4-fluoro-2-nitroanilino)phenol?
4-chloro-2-(4-fluoro-2-nitroanilino)phenol has a molecular weight of 282.66 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluoro-2-nitroanilino)phenol is sourced from PubChem (CID 19771128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).