1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine

C10H9Cl3FNO — CID 86679077

IUPAC1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine
SMILESCON=C(CF)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3FNO/c1-16-15-7(5-14)4-8-9(12)2-6(11)3-10(8)13/h2-3H,4-5H2,1H3
InChIKeyZAQIOVFGCHUNQO-UHFFFAOYSA-N
MW284.55 g/mol
LogP4.16
Rot. Bonds4

About 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine

1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine (PubChem CID 86679077) has the molecular formula C10H9Cl3FNO and a molecular weight of 284.55 g/mol. Its IUPAC name is 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine.

Molecular Properties

Compound Name1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine
PubChem CID86679077
Molecular FormulaC10H9Cl3FNO
Molecular Weight284.55 g/mol
Exact Mass282.97
IUPAC Name1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine
SMILESCON=C(CF)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3FNO/c1-16-15-7(5-14)4-8-9(12)2-6(11)3-10(8)13/h2-3H,4-5H2,1H3
InChIKeyZAQIOVFGCHUNQO-UHFFFAOYSA-N
XLogP4.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 54.16
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 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine?
The IUPAC name of 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine (CID 86679077) is 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine.
What is the SMILES notation for 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine?
The canonical SMILES for 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine is CON=C(CF)Cc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine?
The InChIKey is ZAQIOVFGCHUNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3FNO/c1-16-15-7(5-14)4-8-9(12)2-6(11)3-10(8)13/h2-3H,4-5H2,1H3.
What are the key properties of 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine?
1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine has a molecular weight of 284.55 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-imine is sourced from PubChem (CID 86679077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).