2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol

C13H8Cl2FNO2 — CID 137239062

IUPAC2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol
SMILESO/N=C(\c1ccccc1F)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-11-8(5-6-10(18)12(11)15)13(17-19)7-3-1-2-4-9(7)16/h1-6,18-19H/b17-13+
InChIKeySCKNNLWKFILZIU-GHRIWEEISA-N
MW300.12 g/mol
LogP4.06
Rot. Bonds2

About 2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol

2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol (PubChem CID 137239062) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol.

Molecular Properties

Compound Name2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol
PubChem CID137239062
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol
SMILESO/N=C(\c1ccccc1F)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-11-8(5-6-10(18)12(11)15)13(17-19)7-3-1-2-4-9(7)16/h1-6,18-19H/b17-13+
InChIKeySCKNNLWKFILZIU-GHRIWEEISA-N
XLogP4.06
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol?
The IUPAC name of 2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol (CID 137239062) is 2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol.
What is the SMILES notation for 2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol?
The canonical SMILES for 2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol is O/N=C(\c1ccccc1F)c1ccc(O)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol?
The InChIKey is SCKNNLWKFILZIU-GHRIWEEISA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-11-8(5-6-10(18)12(11)15)13(17-19)7-3-1-2-4-9(7)16/h1-6,18-19H/b17-13+.
What are the key properties of 2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol?
2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol has a molecular weight of 300.12 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol is sourced from PubChem (CID 137239062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).