N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine

C24H22FN — CID 11858934

IUPACN-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine
SMILESC=C(C)CC(N=C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H22FN/c1-18(2)17-23(19-13-15-22(25)16-14-19)26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23H,1,17H2,2H3
InChIKeyYSUWSMRVARNRQK-UHFFFAOYSA-N
MW343.45 g/mol
LogP6.37
Rot. Bonds6

About N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine

N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine (PubChem CID 11858934) has the molecular formula C24H22FN and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine
PubChem CID11858934
Molecular FormulaC24H22FN
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC NameN-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine
SMILESC=C(C)CC(N=C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H22FN/c1-18(2)17-23(19-13-15-22(25)16-14-19)26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23H,1,17H2,2H3
InChIKeyYSUWSMRVARNRQK-UHFFFAOYSA-N
XLogP6.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine (CID 11858934) is N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine is C=C(C)CC(N=C(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine?
The InChIKey is YSUWSMRVARNRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN/c1-18(2)17-23(19-13-15-22(25)16-14-19)26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23H,1,17H2,2H3.
What are the key properties of N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine?
N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine has a molecular weight of 343.45 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 11858934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).