N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine

C14H9ClF3NO — CID 2739818

IUPACN-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1ccccc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClF3NO/c15-11-5-7-12(8-6-11)19-9-10-3-1-2-4-13(10)20-14(16,17)18/h1-9H/b19-9+
InChIKeyPQWYLCXIOHJKFP-DJKKODMXSA-N
MW299.68 g/mol
LogP4.99
Rot. Bonds3

About N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine

N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine (PubChem CID 2739818) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine
PubChem CID2739818
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC NameN-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1ccccc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClF3NO/c15-11-5-7-12(8-6-11)19-9-10-3-1-2-4-13(10)20-14(16,17)18/h1-9H/b19-9+
InChIKeyPQWYLCXIOHJKFP-DJKKODMXSA-N
XLogP4.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Salicylidene-4-chloroaniline
CID 305093
3-Chloro-N-(4-methoxybenzylidene)aniline
CID 525694
N-(4-Chlorobenzylidene)-P-phenetidine
CID 525682
N-(4-Chlorobenzylidene)-para-anisidine
CID 284100
N-(2-Methoxybenzylidene)aniline
CID 564582
N-(2-Chlorobenzylidene)-4-anisidine
CID 1284728
p-Methoxybenzylidene-(4-chlorophenyl)-amine
CID 296382
4-Chloro-N-(3,4-dimethoxybenzylidene)aniline
CID 961177
4-Chloro-N-(2-methoxybenzylidene)aniline
CID 964630
4-Chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 2807028
7-Chlorodibenzo(b,f)(1,4)oxazepine
CID 325268
N-(4-Chlorobenzylidene)-O-anisidine
CID 4078586

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine (CID 2739818) is N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine is FC(F)(F)Oc1ccccc1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine?
The InChIKey is PQWYLCXIOHJKFP-DJKKODMXSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-11-5-7-12(8-6-11)19-9-10-3-1-2-4-13(10)20-14(16,17)18/h1-9H/b19-9+.
What are the key properties of N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine?
N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine has a molecular weight of 299.68 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 2739818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).