1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine

C14H11F2N — CID 16752924

IUPAC1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
SMILESFc1ccc(/C=N/Cc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11F2N/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-9H,10H2/b17-9+
InChIKeyYNNYYCRUUQDOME-RQZCQDPDSA-N
MW231.25 g/mol
LogP3.58
Rot. Bonds3

About 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine

1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine (PubChem CID 16752924) has the molecular formula C14H11F2N and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
PubChem CID16752924
Molecular FormulaC14H11F2N
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
SMILESFc1ccc(/C=N/Cc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11F2N/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-9H,10H2/b17-9+
InChIKeyYNNYYCRUUQDOME-RQZCQDPDSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine (CID 16752924) is 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine is Fc1ccc(/C=N/Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine?
The InChIKey is YNNYYCRUUQDOME-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11F2N/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-9H,10H2/b17-9+.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine?
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine has a molecular weight of 231.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine is sourced from PubChem (CID 16752924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).