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

C15H17ClF3NO — CID 88957472

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine
SMILESC/C(=N\OCC1CCCC1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C15H17ClF3NO/c1-10(20-21-9-11-4-2-3-5-11)13-8-12(16)6-7-14(13)15(17,18)19/h6-8,11H,2-5,9H2,1H3/b20-10+
InChIKeyOOWFOAFCXJOYOR-KEBDBYFISA-N
MW319.75 g/mol
LogP5.29
Rot. Bonds4

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

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine (PubChem CID 88957472) 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-(cyclopentylmethoxy)ethanimine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine
PubChem CID88957472
Molecular FormulaC15H17ClF3NO
Molecular Weight319.75 g/mol
Exact Mass319.10
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine
SMILESC/C(=N\OCC1CCCC1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C15H17ClF3NO/c1-10(20-21-9-11-4-2-3-5-11)13-8-12(16)6-7-14(13)15(17,18)19/h6-8,11H,2-5,9H2,1H3/b20-10+
InChIKeyOOWFOAFCXJOYOR-KEBDBYFISA-N
XLogP5.29
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 ≤ 55.29
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-(cyclopentylmethoxy)ethanimine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine (CID 88957472) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine is C/C(=N\OCC1CCCC1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine?
The InChIKey is OOWFOAFCXJOYOR-KEBDBYFISA-N. The full InChI is InChI=1S/C15H17ClF3NO/c1-10(20-21-9-11-4-2-3-5-11)13-8-12(16)6-7-14(13)15(17,18)19/h6-8,11H,2-5,9H2,1H3/b20-10+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine has a molecular weight of 319.75 g/mol, XLogP of 5.29, 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-(cyclopentylmethoxy)ethanimine is sourced from PubChem (CID 88957472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).