(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine

C15H17ClF3NO — CID 88957441

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine
SMILESC/C(=N\OC1CCCCC1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C15H17ClF3NO/c1-10(20-21-12-5-3-2-4-6-12)13-9-11(16)7-8-14(13)15(17,18)19/h7-9,12H,2-6H2,1H3/b20-10+
InChIKeyUUAXXKUHFJDLLU-KEBDBYFISA-N
MW319.75 g/mol
LogP5.43
Rot. Bonds3

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine (PubChem CID 88957441) has the molecular formula C15H17ClF3NO and a molecular weight of 319.75 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine
PubChem CID88957441
Molecular FormulaC15H17ClF3NO
Molecular Weight319.75 g/mol
Exact Mass319.10
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine
SMILESC/C(=N\OC1CCCCC1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C15H17ClF3NO/c1-10(20-21-12-5-3-2-4-6-12)13-9-11(16)7-8-14(13)15(17,18)19/h7-9,12H,2-6H2,1H3/b20-10+
InChIKeyUUAXXKUHFJDLLU-KEBDBYFISA-N
XLogP5.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.75
LogP ≤ 55.43
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 (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine (CID 88957441) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine is C/C(=N\OC1CCCCC1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine?
The InChIKey is UUAXXKUHFJDLLU-KEBDBYFISA-N. The full InChI is InChI=1S/C15H17ClF3NO/c1-10(20-21-12-5-3-2-4-6-12)13-9-11(16)7-8-14(13)15(17,18)19/h7-9,12H,2-6H2,1H3/b20-10+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine has a molecular weight of 319.75 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine is sourced from PubChem (CID 88957441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).