2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C8H7ClFNO2 — CID 138518893

IUPAC2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C8H7ClFNO2/c1-4(11-13)6-2-5(10)3-7(9)8(6)12/h2-3,12-13H,1H3/b11-4+
InChIKeyFAGIPEOMERBQAL-NYYWCZLTSA-N
MW203.60 g/mol
LogP2.38
Rot. Bonds1

About 2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 138518893) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID138518893
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C8H7ClFNO2/c1-4(11-13)6-2-5(10)3-7(9)8(6)12/h2-3,12-13H,1H3/b11-4+
InChIKeyFAGIPEOMERBQAL-NYYWCZLTSA-N
XLogP2.38
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 52.38
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-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 138518893) is 2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N\O)c1cc(F)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is FAGIPEOMERBQAL-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-4(11-13)6-2-5(10)3-7(9)8(6)12/h2-3,12-13H,1H3/b11-4+.
What are the key properties of 2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 203.60 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 138518893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).