(1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride

C7H5ClFNO — CID 6197788

IUPAC(1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1ccc(F)cc1
InChIInChI=1S/C7H5ClFNO/c8-7(10-11)5-1-3-6(9)4-2-5/h1-4,11H/b10-7+
InChIKeyVDMJCVUEUHKGOY-JXMROGBWSA-N
MW173.57 g/mol
LogP2.20
Rot. Bonds1

About (1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride

(1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 6197788) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is (1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID6197788
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC Name(1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1ccc(F)cc1
InChIInChI=1S/C7H5ClFNO/c8-7(10-11)5-1-3-6(9)4-2-5/h1-4,11H/b10-7+
InChIKeyVDMJCVUEUHKGOY-JXMROGBWSA-N
XLogP2.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of (1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride (CID 6197788) is (1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride is O/N=C(/Cl)c1ccc(F)cc1.
What is the InChIKey of (1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is VDMJCVUEUHKGOY-JXMROGBWSA-N. The full InChI is InChI=1S/C7H5ClFNO/c8-7(10-11)5-1-3-6(9)4-2-5/h1-4,11H/b10-7+.
What are the key properties of (1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride?
(1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 173.57 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 6197788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).