1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine

C14H8Cl2F3N — CID 122210367

IUPAC1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine
SMILESFC(F)(F)N=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2F3N/c15-11-5-1-9(2-6-11)13(20-14(17,18)19)10-3-7-12(16)8-4-10/h1-8H
InChIKeyJCBQTJYSLSYJPH-UHFFFAOYSA-N
MW318.13 g/mol
LogP5.35
Rot. Bonds2

About 1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine

1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine (PubChem CID 122210367) has the molecular formula C14H8Cl2F3N and a molecular weight of 318.13 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine
PubChem CID122210367
Molecular FormulaC14H8Cl2F3N
Molecular Weight318.13 g/mol
Exact Mass317.00
IUPAC Name1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine
SMILESFC(F)(F)N=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2F3N/c15-11-5-1-9(2-6-11)13(20-14(17,18)19)10-3-7-12(16)8-4-10/h1-8H
InChIKeyJCBQTJYSLSYJPH-UHFFFAOYSA-N
XLogP5.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.13
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine?
The IUPAC name of 1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine (CID 122210367) is 1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine is FC(F)(F)N=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine?
The InChIKey is JCBQTJYSLSYJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3N/c15-11-5-1-9(2-6-11)13(20-14(17,18)19)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of 1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine?
1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine has a molecular weight of 318.13 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-N-(trifluoromethyl)methanimine is sourced from PubChem (CID 122210367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).