(1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride

C11H13ClFNO2 — CID 87782212

IUPAC(1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride
SMILESCC(C)COc1cccc(F)c1/C(Cl)=N/O
InChIInChI=1S/C11H13ClFNO2/c1-7(2)6-16-9-5-3-4-8(13)10(9)11(12)14-15/h3-5,7,15H,6H2,1-2H3/b14-11-
InChIKeyDMGLCVXIZFTQFX-KAMYIIQDSA-N
MW245.68 g/mol
LogP3.24
Rot. Bonds4

About (1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride

(1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride (PubChem CID 87782212) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is (1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride
PubChem CID87782212
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name(1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride
SMILESCC(C)COc1cccc(F)c1/C(Cl)=N/O
InChIInChI=1S/C11H13ClFNO2/c1-7(2)6-16-9-5-3-4-8(13)10(9)11(12)14-15/h3-5,7,15H,6H2,1-2H3/b14-11-
InChIKeyDMGLCVXIZFTQFX-KAMYIIQDSA-N
XLogP3.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 53.24
H-Bond Donors ≤ 51
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 (1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride?
The IUPAC name of (1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride (CID 87782212) is (1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride is CC(C)COc1cccc(F)c1/C(Cl)=N/O.
What is the InChIKey of (1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride?
The InChIKey is DMGLCVXIZFTQFX-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-7(2)6-16-9-5-3-4-8(13)10(9)11(12)14-15/h3-5,7,15H,6H2,1-2H3/b14-11-.
What are the key properties of (1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride?
(1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride has a molecular weight of 245.68 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride is sourced from PubChem (CID 87782212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).