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

C18H21F6NO — CID 59021084

IUPAC(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine
SMILESCC/C(=N\OCC1CCCCC1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C18H21F6NO/c1-2-16(25-26-11-12-6-4-3-5-7-12)14-9-8-13(17(19,20)21)10-15(14)18(22,23)24/h8-10,12H,2-7,11H2,1H3/b25-16+
InChIKeyNSEMJCJVBUDRFX-PCLIKHOPSA-N
MW381.36 g/mol
LogP6.44
Rot. Bonds5

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

(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine (PubChem CID 59021084) has the molecular formula C18H21F6NO and a molecular weight of 381.36 g/mol. Its IUPAC name is (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine.

Molecular Properties

Compound Name(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine
PubChem CID59021084
Molecular FormulaC18H21F6NO
Molecular Weight381.36 g/mol
Exact Mass381.15
IUPAC Name(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine
SMILESCC/C(=N\OCC1CCCCC1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C18H21F6NO/c1-2-16(25-26-11-12-6-4-3-5-7-12)14-9-8-13(17(19,20)21)10-15(14)18(22,23)24/h8-10,12H,2-7,11H2,1H3/b25-16+
InChIKeyNSEMJCJVBUDRFX-PCLIKHOPSA-N
XLogP6.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 56.44
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)propan-1-imine?
The IUPAC name of (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine (CID 59021084) is (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine.
What is the SMILES notation for (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine?
The canonical SMILES for (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine is CC/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)propan-1-imine?
The InChIKey is NSEMJCJVBUDRFX-PCLIKHOPSA-N. The full InChI is InChI=1S/C18H21F6NO/c1-2-16(25-26-11-12-6-4-3-5-7-12)14-9-8-13(17(19,20)21)10-15(14)18(22,23)24/h8-10,12H,2-7,11H2,1H3/b25-16+.
What are the key properties of (E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine?
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine has a molecular weight of 381.36 g/mol, XLogP of 6.44, 5 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)propan-1-imine is sourced from PubChem (CID 59021084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).