4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride

C10H8Cl2FNO — CID 140871500

IUPAC4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(Cl)c(C2CC2)c1F
InChIInChI=1S/C10H8Cl2FNO/c11-7-4-3-6(10(12)14-15)9(13)8(7)5-1-2-5/h3-5,15H,1-2H2
InChIKeySYLHILXDZHHNND-UHFFFAOYSA-N
MW248.08 g/mol
LogP3.73
Rot. Bonds2

About 4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride

4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 140871500) has the molecular formula C10H8Cl2FNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID140871500
Molecular FormulaC10H8Cl2FNO
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(Cl)c(C2CC2)c1F
InChIInChI=1S/C10H8Cl2FNO/c11-7-4-3-6(10(12)14-15)9(13)8(7)5-1-2-5/h3-5,15H,1-2H2
InChIKeySYLHILXDZHHNND-UHFFFAOYSA-N
XLogP3.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 53.73
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 4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of 4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride (CID 140871500) is 4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for 4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for 4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride is ON=C(Cl)c1ccc(Cl)c(C2CC2)c1F.
What is the InChIKey of 4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is SYLHILXDZHHNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO/c11-7-4-3-6(10(12)14-15)9(13)8(7)5-1-2-5/h3-5,15H,1-2H2.
What are the key properties of 4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride?
4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 248.08 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 140871500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).