1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene

C21H16FIO — CID 135073859

IUPAC1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene
SMILESFc1ccc(/C(=C\COc2ccccc2I)c2ccccc2)cc1
InChIInChI=1S/C21H16FIO/c22-18-12-10-17(11-13-18)19(16-6-2-1-3-7-16)14-15-24-21-9-5-4-8-20(21)23/h1-14H,15H2/b19-14-
InChIKeySCWFUTVRWQGBLX-RGEXLXHISA-N
MW430.26 g/mol
LogP5.94
Rot. Bonds5

About 1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene

1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene (PubChem CID 135073859) has the molecular formula C21H16FIO and a molecular weight of 430.26 g/mol. Its IUPAC name is 1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene
PubChem CID135073859
Molecular FormulaC21H16FIO
Molecular Weight430.26 g/mol
Exact Mass430.02
IUPAC Name1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene
SMILESFc1ccc(/C(=C\COc2ccccc2I)c2ccccc2)cc1
InChIInChI=1S/C21H16FIO/c22-18-12-10-17(11-13-18)19(16-6-2-1-3-7-16)14-15-24-21-9-5-4-8-20(21)23/h1-14H,15H2/b19-14-
InChIKeySCWFUTVRWQGBLX-RGEXLXHISA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.26
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene?
The IUPAC name of 1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene (CID 135073859) is 1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene?
The canonical SMILES for 1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene is Fc1ccc(/C(=C\COc2ccccc2I)c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene?
The InChIKey is SCWFUTVRWQGBLX-RGEXLXHISA-N. The full InChI is InChI=1S/C21H16FIO/c22-18-12-10-17(11-13-18)19(16-6-2-1-3-7-16)14-15-24-21-9-5-4-8-20(21)23/h1-14H,15H2/b19-14-.
What are the key properties of 1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene?
1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene has a molecular weight of 430.26 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(Z)-3-(2-iodophenoxy)-1-phenylprop-1-enyl]benzene is sourced from PubChem (CID 135073859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).