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

C20H19ClF3NO — CID 123590469

IUPAC1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine
SMILESFC(F)(F)c1ccc(Cl)cc1C(=NOC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H19ClF3NO/c21-15-11-12-18(20(22,23)24)17(13-15)19(14-7-3-1-4-8-14)25-26-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2
InChIKeyCHVYCGHUESSCJK-UHFFFAOYSA-N
MW381.83 g/mol
LogP6.46
Rot. Bonds4

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

1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine (PubChem CID 123590469) has the molecular formula C20H19ClF3NO and a molecular weight of 381.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine.

Molecular Properties

Compound Name1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine
PubChem CID123590469
Molecular FormulaC20H19ClF3NO
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC Name1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine
SMILESFC(F)(F)c1ccc(Cl)cc1C(=NOC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H19ClF3NO/c21-15-11-12-18(20(22,23)24)17(13-15)19(14-7-3-1-4-8-14)25-26-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2
InChIKeyCHVYCGHUESSCJK-UHFFFAOYSA-N
XLogP6.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.83
LogP ≤ 56.46
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 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine?
The IUPAC name of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine (CID 123590469) is 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine.
What is the SMILES notation for 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine?
The canonical SMILES for 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine is FC(F)(F)c1ccc(Cl)cc1C(=NOC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine?
The InChIKey is CHVYCGHUESSCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3NO/c21-15-11-12-18(20(22,23)24)17(13-15)19(14-7-3-1-4-8-14)25-26-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2.
What are the key properties of 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine?
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine has a molecular weight of 381.83 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine is sourced from PubChem (CID 123590469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).