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

C19H17ClF3NO — CID 88957442

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine
SMILESFC(F)(F)c1ccc(Cl)cc1/C(=N/OC1CCCC1)c1ccccc1
InChIInChI=1S/C19H17ClF3NO/c20-14-10-11-17(19(21,22)23)16(12-14)18(13-6-2-1-3-7-13)24-25-15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2/b24-18+
InChIKeyJVXMBZKGMNXMEE-HKOYGPOVSA-N
MW367.80 g/mol
LogP6.07
Rot. Bonds4

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

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine (PubChem CID 88957442) has the molecular formula C19H17ClF3NO and a molecular weight of 367.80 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine
PubChem CID88957442
Molecular FormulaC19H17ClF3NO
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine
SMILESFC(F)(F)c1ccc(Cl)cc1/C(=N/OC1CCCC1)c1ccccc1
InChIInChI=1S/C19H17ClF3NO/c20-14-10-11-17(19(21,22)23)16(12-14)18(13-6-2-1-3-7-13)24-25-15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2/b24-18+
InChIKeyJVXMBZKGMNXMEE-HKOYGPOVSA-N
XLogP6.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.80
LogP ≤ 56.07
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-cyclopentyloxy-1-phenylmethanimine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine (CID 88957442) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine is FC(F)(F)c1ccc(Cl)cc1/C(=N/OC1CCCC1)c1ccccc1.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine?
The InChIKey is JVXMBZKGMNXMEE-HKOYGPOVSA-N. The full InChI is InChI=1S/C19H17ClF3NO/c20-14-10-11-17(19(21,22)23)16(12-14)18(13-6-2-1-3-7-13)24-25-15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2/b24-18+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine has a molecular weight of 367.80 g/mol, XLogP of 6.07, 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-cyclopentyloxy-1-phenylmethanimine is sourced from PubChem (CID 88957442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).