4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine

C11H13ClFNO — CID 86679082

IUPAC4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine
SMILESCON=C(CF)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClFNO/c1-15-14-11(8-13)7-4-9-2-5-10(12)6-3-9/h2-3,5-6H,4,7-8H2,1H3
InChIKeyFMYLEBVTCPGQGV-UHFFFAOYSA-N
MW229.68 g/mol
LogP3.24
Rot. Bonds5

About 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine

4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine (PubChem CID 86679082) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine
PubChem CID86679082
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine
SMILESCON=C(CF)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClFNO/c1-15-14-11(8-13)7-4-9-2-5-10(12)6-3-9/h2-3,5-6H,4,7-8H2,1H3
InChIKeyFMYLEBVTCPGQGV-UHFFFAOYSA-N
XLogP3.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine (CID 86679082) is 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine is CON=C(CF)CCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine?
The InChIKey is FMYLEBVTCPGQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-14-11(8-13)7-4-9-2-5-10(12)6-3-9/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine?
4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine has a molecular weight of 229.68 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-fluoro-N-methoxybutan-2-imine is sourced from PubChem (CID 86679082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).