2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol

C11H13ClFNO2 — CID 136934976

IUPAC2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol
SMILESO/N=C(/CCCCCl)c1ccc(F)cc1O
InChIInChI=1S/C11H13ClFNO2/c12-6-2-1-3-10(14-16)9-5-4-8(13)7-11(9)15/h4-5,7,15-16H,1-3,6H2/b14-10-
InChIKeyVIHNZEMLLPYPHT-UVTDQMKNSA-N
MW245.68 g/mol
LogP3.12
Rot. Bonds5

About 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol

2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol (PubChem CID 136934976) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol
PubChem CID136934976
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol
SMILESO/N=C(/CCCCCl)c1ccc(F)cc1O
InChIInChI=1S/C11H13ClFNO2/c12-6-2-1-3-10(14-16)9-5-4-8(13)7-11(9)15/h4-5,7,15-16H,1-3,6H2/b14-10-
InChIKeyVIHNZEMLLPYPHT-UVTDQMKNSA-N
XLogP3.12
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol?
The IUPAC name of 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol (CID 136934976) is 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol.
What is the SMILES notation for 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol?
The canonical SMILES for 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol is O/N=C(/CCCCCl)c1ccc(F)cc1O.
What is the InChIKey of 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol?
The InChIKey is VIHNZEMLLPYPHT-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c12-6-2-1-3-10(14-16)9-5-4-8(13)7-11(9)15/h4-5,7,15-16H,1-3,6H2/b14-10-.
What are the key properties of 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol?
2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol has a molecular weight of 245.68 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-C-(4-chlorobutyl)-N-hydroxycarbonimidoyl]-5-fluorophenol is sourced from PubChem (CID 136934976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).