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

C15H17ClF3NO — CID 88957435

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine
SMILESCC/C(=N\OC1CCCC1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C15H17ClF3NO/c1-2-14(20-21-11-5-3-4-6-11)12-9-10(16)7-8-13(12)15(17,18)19/h7-9,11H,2-6H2,1H3/b20-14+
InChIKeyAMUKKWVSUFVVDX-XSFVSMFZSA-N
MW319.75 g/mol
LogP5.43
Rot. Bonds4

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

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine (PubChem CID 88957435) 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-cyclopentyloxypropan-1-imine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine
PubChem CID88957435
Molecular FormulaC15H17ClF3NO
Molecular Weight319.75 g/mol
Exact Mass319.10
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine
SMILESCC/C(=N\OC1CCCC1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C15H17ClF3NO/c1-2-14(20-21-11-5-3-4-6-11)12-9-10(16)7-8-13(12)15(17,18)19/h7-9,11H,2-6H2,1H3/b20-14+
InChIKeyAMUKKWVSUFVVDX-XSFVSMFZSA-N
XLogP5.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-cyclopentyloxypropan-1-imine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine (CID 88957435) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine is CC/C(=N\OC1CCCC1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine?
The InChIKey is AMUKKWVSUFVVDX-XSFVSMFZSA-N. The full InChI is InChI=1S/C15H17ClF3NO/c1-2-14(20-21-11-5-3-4-6-11)12-9-10(16)7-8-13(12)15(17,18)19/h7-9,11H,2-6H2,1H3/b20-14+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxypropan-1-imine has a molecular weight of 319.75 g/mol, XLogP of 5.43, 4 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-cyclopentyloxypropan-1-imine is sourced from PubChem (CID 88957435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).