2-fluoro-3-iodoterephthalaldehyde

C8H4FIO2 — CID 171013369

IUPAC2-fluoro-3-iodoterephthalaldehyde
SMILESO=Cc1ccc(C=O)c(I)c1F
InChIInChI=1S/C8H4FIO2/c9-7-5(3-11)1-2-6(4-12)8(7)10/h1-4H
InChIKeyJCFFOVWSBRJHAB-UHFFFAOYSA-N
MW278.02 g/mol
LogP2.06
Rot. Bonds2

About 2-fluoro-3-iodoterephthalaldehyde

2-fluoro-3-iodoterephthalaldehyde (PubChem CID 171013369) has the molecular formula C8H4FIO2 and a molecular weight of 278.02 g/mol. Its IUPAC name is 2-fluoro-3-iodoterephthalaldehyde.

Molecular Properties

Compound Name2-fluoro-3-iodoterephthalaldehyde
PubChem CID171013369
Molecular FormulaC8H4FIO2
Molecular Weight278.02 g/mol
Exact Mass277.92
IUPAC Name2-fluoro-3-iodoterephthalaldehyde
SMILESO=Cc1ccc(C=O)c(I)c1F
InChIInChI=1S/C8H4FIO2/c9-7-5(3-11)1-2-6(4-12)8(7)10/h1-4H
InChIKeyJCFFOVWSBRJHAB-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.02
LogP ≤ 52.06
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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Related Compounds

3-bromo-2,4-difluorobenzaldehyde
CID 74891957
2-chloro-3-fluoroterephthalaldehyde
CID 87294341
3-fluoro-4-iodo-2-methylbenzaldehyde
CID 164892060
CID 163739827
CID 163739827
2,4-difluoro-3-hydroxybenzaldehyde
CID 593909
2-fluoro-3,6-diformylbenzonitrile
CID 171011652
2-fluoro-3-propylbenzaldehyde
CID 174795778
3-chloro-2-fluoro-4-methylbenzaldehyde
CID 118990191
4-bromo-2-fluoro-3-methylbenzaldehyde
CID 99769903
2,3-difluoro-4-(methylamino)benzaldehyde
CID 141426329
2-fluoro-3-hydroxybenzaldehyde
CID 587789
2-fluoro-3-(trifluoromethoxy)terephthalaldehyde
CID 171010447

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodoterephthalaldehyde?
The IUPAC name of 2-fluoro-3-iodoterephthalaldehyde (CID 171013369) is 2-fluoro-3-iodoterephthalaldehyde.
What is the SMILES notation for 2-fluoro-3-iodoterephthalaldehyde?
The canonical SMILES for 2-fluoro-3-iodoterephthalaldehyde is O=Cc1ccc(C=O)c(I)c1F.
What is the InChIKey of 2-fluoro-3-iodoterephthalaldehyde?
The InChIKey is JCFFOVWSBRJHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIO2/c9-7-5(3-11)1-2-6(4-12)8(7)10/h1-4H.
What are the key properties of 2-fluoro-3-iodoterephthalaldehyde?
2-fluoro-3-iodoterephthalaldehyde has a molecular weight of 278.02 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodoterephthalaldehyde is sourced from PubChem (CID 171013369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).