1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine

C11H9F6NO — CID 54370615

IUPAC1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H9F6NO/c1-6(18-19-2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17/h3-5H,1-2H3
InChIKeyUSXWNAHZZNZRAU-UHFFFAOYSA-N
MW285.19 g/mol
LogP4.09
Rot. Bonds2

About 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine

1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine (PubChem CID 54370615) has the molecular formula C11H9F6NO and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine
PubChem CID54370615
Molecular FormulaC11H9F6NO
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC Name1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H9F6NO/c1-6(18-19-2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17/h3-5H,1-2H3
InChIKeyUSXWNAHZZNZRAU-UHFFFAOYSA-N
XLogP4.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 54.09
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-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine?
The IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine (CID 54370615) is 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine.
What is the SMILES notation for 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine?
The canonical SMILES for 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine is CON=C(C)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine?
The InChIKey is USXWNAHZZNZRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO/c1-6(18-19-2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17/h3-5H,1-2H3.
What are the key properties of 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine?
1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine has a molecular weight of 285.19 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine is sourced from PubChem (CID 54370615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).