(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine

C20H18ClF4NO — CID 88957450

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine
SMILESFc1ccc(O/N=C(/c2cc(Cl)ccc2C(F)(F)F)C2CCCCC2)cc1
InChIInChI=1S/C20H18ClF4NO/c21-14-6-11-18(20(23,24)25)17(12-14)19(13-4-2-1-3-5-13)26-27-16-9-7-15(22)8-10-16/h6-13H,1-5H2/b26-19+
InChIKeyLCMXESINRKXNSI-LGUFXXKBSA-N
MW399.82 g/mol
LogP6.86
Rot. Bonds4

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine (PubChem CID 88957450) has the molecular formula C20H18ClF4NO and a molecular weight of 399.82 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine
PubChem CID88957450
Molecular FormulaC20H18ClF4NO
Molecular Weight399.82 g/mol
Exact Mass399.10
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine
SMILESFc1ccc(O/N=C(/c2cc(Cl)ccc2C(F)(F)F)C2CCCCC2)cc1
InChIInChI=1S/C20H18ClF4NO/c21-14-6-11-18(20(23,24)25)17(12-14)19(13-4-2-1-3-5-13)26-27-16-9-7-15(22)8-10-16/h6-13H,1-5H2/b26-19+
InChIKeyLCMXESINRKXNSI-LGUFXXKBSA-N
XLogP6.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.82
LogP ≤ 56.86
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]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine (CID 88957450) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine is Fc1ccc(O/N=C(/c2cc(Cl)ccc2C(F)(F)F)C2CCCCC2)cc1.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine?
The InChIKey is LCMXESINRKXNSI-LGUFXXKBSA-N. The full InChI is InChI=1S/C20H18ClF4NO/c21-14-6-11-18(20(23,24)25)17(12-14)19(13-4-2-1-3-5-13)26-27-16-9-7-15(22)8-10-16/h6-13H,1-5H2/b26-19+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine has a molecular weight of 399.82 g/mol, XLogP of 6.86, 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]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine is sourced from PubChem (CID 88957450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).