N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine

C16H13F2N — CID 144906825

IUPACN-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine
SMILESC=N/C(=C\Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13F2N/c1-19-16(13-5-9-15(18)10-6-13)11-4-12-2-7-14(17)8-3-12/h2-3,5-11H,1,4H2/b16-11-
InChIKeyBQPPJOYHSYYVED-WJDWOHSUSA-N
MW257.28 g/mol
LogP4.25
Rot. Bonds4

About N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine

N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine (PubChem CID 144906825) has the molecular formula C16H13F2N and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine
PubChem CID144906825
Molecular FormulaC16H13F2N
Molecular Weight257.28 g/mol
Exact Mass257.10
IUPAC NameN-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine
SMILESC=N/C(=C\Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13F2N/c1-19-16(13-5-9-15(18)10-6-13)11-4-12-2-7-14(17)8-3-12/h2-3,5-11H,1,4H2/b16-11-
InChIKeyBQPPJOYHSYYVED-WJDWOHSUSA-N
XLogP4.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 54.25
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-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine?
The IUPAC name of N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine (CID 144906825) is N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine is C=N/C(=C\Cc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine?
The InChIKey is BQPPJOYHSYYVED-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H13F2N/c1-19-16(13-5-9-15(18)10-6-13)11-4-12-2-7-14(17)8-3-12/h2-3,5-11H,1,4H2/b16-11-.
What are the key properties of N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine?
N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine has a molecular weight of 257.28 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine is sourced from PubChem (CID 144906825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).