N-(4-fluorophenyl)-1-phenylethanimine

C14H12FN — CID 11310403

IUPACN-(4-fluorophenyl)-1-phenylethanimine
SMILESC/C(=N\c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H12FN/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-10H,1H3/b16-11+
InChIKeyOLAMZCPEPGFXNT-LFIBNONCSA-N
MW213.25 g/mol
LogP3.97
Rot. Bonds2

About N-(4-fluorophenyl)-1-phenylethanimine

N-(4-fluorophenyl)-1-phenylethanimine (PubChem CID 11310403) has the molecular formula C14H12FN and a molecular weight of 213.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-phenylethanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-phenylethanimine
PubChem CID11310403
Molecular FormulaC14H12FN
Molecular Weight213.25 g/mol
Exact Mass213.10
IUPAC NameN-(4-fluorophenyl)-1-phenylethanimine
SMILESC/C(=N\c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H12FN/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-10H,1H3/b16-11+
InChIKeyOLAMZCPEPGFXNT-LFIBNONCSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.97
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 N-(4-fluorophenyl)-1-phenylethanimine?
The IUPAC name of N-(4-fluorophenyl)-1-phenylethanimine (CID 11310403) is N-(4-fluorophenyl)-1-phenylethanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-phenylethanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-phenylethanimine is C/C(=N\c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-1-phenylethanimine?
The InChIKey is OLAMZCPEPGFXNT-LFIBNONCSA-N. The full InChI is InChI=1S/C14H12FN/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-10H,1H3/b16-11+.
What are the key properties of N-(4-fluorophenyl)-1-phenylethanimine?
N-(4-fluorophenyl)-1-phenylethanimine has a molecular weight of 213.25 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-phenylethanimine is sourced from PubChem (CID 11310403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).