1-fluoro-4-[(4-iodophenyl)methoxy]benzene

C13H10FIO — CID 19106793

IUPAC1-fluoro-4-[(4-iodophenyl)methoxy]benzene
SMILESFc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C13H10FIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
InChIKeyWFCPHRHKQQOAFF-UHFFFAOYSA-N
MW328.12 g/mol
LogP4.01
Rot. Bonds3

About 1-fluoro-4-[(4-iodophenyl)methoxy]benzene

1-fluoro-4-[(4-iodophenyl)methoxy]benzene (PubChem CID 19106793) has the molecular formula C13H10FIO and a molecular weight of 328.12 g/mol. Its IUPAC name is 1-fluoro-4-[(4-iodophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(4-iodophenyl)methoxy]benzene
PubChem CID19106793
Molecular FormulaC13H10FIO
Molecular Weight328.12 g/mol
Exact Mass327.98
IUPAC Name1-fluoro-4-[(4-iodophenyl)methoxy]benzene
SMILESFc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C13H10FIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
InChIKeyWFCPHRHKQQOAFF-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 54.01
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-[(4-iodophenyl)methoxy]benzene?
The IUPAC name of 1-fluoro-4-[(4-iodophenyl)methoxy]benzene (CID 19106793) is 1-fluoro-4-[(4-iodophenyl)methoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[(4-iodophenyl)methoxy]benzene?
The canonical SMILES for 1-fluoro-4-[(4-iodophenyl)methoxy]benzene is Fc1ccc(OCc2ccc(I)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(4-iodophenyl)methoxy]benzene?
The InChIKey is WFCPHRHKQQOAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2.
What are the key properties of 1-fluoro-4-[(4-iodophenyl)methoxy]benzene?
1-fluoro-4-[(4-iodophenyl)methoxy]benzene has a molecular weight of 328.12 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(4-iodophenyl)methoxy]benzene is sourced from PubChem (CID 19106793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).