(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine

C17H19F6NO — CID 59021217

IUPAC(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine
SMILESC/C(=N\OCC1CCCCC1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C17H19F6NO/c1-11(24-25-10-12-5-3-2-4-6-12)14-8-7-13(16(18,19)20)9-15(14)17(21,22)23/h7-9,12H,2-6,10H2,1H3/b24-11+
InChIKeyBTLFPUXIYSCUOM-BHGWPJFGSA-N
MW367.33 g/mol
LogP6.05
Rot. Bonds4

About (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine

(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine (PubChem CID 59021217) has the molecular formula C17H19F6NO and a molecular weight of 367.33 g/mol. Its IUPAC name is (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine.

Molecular Properties

Compound Name(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine
PubChem CID59021217
Molecular FormulaC17H19F6NO
Molecular Weight367.33 g/mol
Exact Mass367.14
IUPAC Name(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine
SMILESC/C(=N\OCC1CCCCC1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C17H19F6NO/c1-11(24-25-10-12-5-3-2-4-6-12)14-8-7-13(16(18,19)20)9-15(14)17(21,22)23/h7-9,12H,2-6,10H2,1H3/b24-11+
InChIKeyBTLFPUXIYSCUOM-BHGWPJFGSA-N
XLogP6.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.33
LogP ≤ 56.05
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-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine?
The IUPAC name of (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine (CID 59021217) is (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine.
What is the SMILES notation for (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine?
The canonical SMILES for (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine is C/C(=N\OCC1CCCCC1)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine?
The InChIKey is BTLFPUXIYSCUOM-BHGWPJFGSA-N. The full InChI is InChI=1S/C17H19F6NO/c1-11(24-25-10-12-5-3-2-4-6-12)14-8-7-13(16(18,19)20)9-15(14)17(21,22)23/h7-9,12H,2-6,10H2,1H3/b24-11+.
What are the key properties of (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine?
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine has a molecular weight of 367.33 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)ethanimine is sourced from PubChem (CID 59021217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).