4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde

C14H9F2IO2 — CID 161454151

IUPAC4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde
SMILESO=Cc1ccc(F)c(I)c1.O=Cc1ccc(F)cc1
InChIInChI=1S/C7H4FIO.C7H5FO/c8-6-2-1-5(4-10)3-7(6)9;8-7-3-1-6(5-9)2-4-7/h1-4H;1-5H
InChIKeyWAXUTIIHGJWVIJ-UHFFFAOYSA-N
MW374.12 g/mol
LogP3.88
Rot. Bonds2

About 4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde

4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde (PubChem CID 161454151) has the molecular formula C14H9F2IO2 and a molecular weight of 374.12 g/mol. Its IUPAC name is 4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde.

Molecular Properties

Compound Name4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde
PubChem CID161454151
Molecular FormulaC14H9F2IO2
Molecular Weight374.12 g/mol
Exact Mass373.96
IUPAC Name4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde
SMILESO=Cc1ccc(F)c(I)c1.O=Cc1ccc(F)cc1
InChIInChI=1S/C7H4FIO.C7H5FO/c8-6-2-1-5(4-10)3-7(6)9;8-7-3-1-6(5-9)2-4-7/h1-4H;1-5H
InChIKeyWAXUTIIHGJWVIJ-UHFFFAOYSA-N
XLogP3.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.12
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde?
The IUPAC name of 4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde (CID 161454151) is 4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde.
What is the SMILES notation for 4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde?
The canonical SMILES for 4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde is O=Cc1ccc(F)c(I)c1.O=Cc1ccc(F)cc1.
What is the InChIKey of 4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde?
The InChIKey is WAXUTIIHGJWVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FIO.C7H5FO/c8-6-2-1-5(4-10)3-7(6)9;8-7-3-1-6(5-9)2-4-7/h1-4H;1-5H.
What are the key properties of 4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde?
4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde has a molecular weight of 374.12 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde is sourced from PubChem (CID 161454151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).