(1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride

C7H3Cl3FNO — CID 134506140

IUPAC(1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1cc(Cl)c(Cl)cc1F
InChIInChI=1S/C7H3Cl3FNO/c8-4-1-3(7(10)12-13)6(11)2-5(4)9/h1-2,13H/b12-7+
InChIKeyPVWPDUNNDITSBP-KPKJPENVSA-N
MW242.46 g/mol
LogP3.51
Rot. Bonds1

About (1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride

(1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 134506140) has the molecular formula C7H3Cl3FNO and a molecular weight of 242.46 g/mol. Its IUPAC name is (1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID134506140
Molecular FormulaC7H3Cl3FNO
Molecular Weight242.46 g/mol
Exact Mass240.93
IUPAC Name(1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1cc(Cl)c(Cl)cc1F
InChIInChI=1S/C7H3Cl3FNO/c8-4-1-3(7(10)12-13)6(11)2-5(4)9/h1-2,13H/b12-7+
InChIKeyPVWPDUNNDITSBP-KPKJPENVSA-N
XLogP3.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of (1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride (CID 134506140) is (1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride is O/N=C(/Cl)c1cc(Cl)c(Cl)cc1F.
What is the InChIKey of (1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is PVWPDUNNDITSBP-KPKJPENVSA-N. The full InChI is InChI=1S/C7H3Cl3FNO/c8-4-1-3(7(10)12-13)6(11)2-5(4)9/h1-2,13H/b12-7+.
What are the key properties of (1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride?
(1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 242.46 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 134506140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).