2,6-difluoro-4-(iodomethyl)benzaldehyde

C8H5F2IO — CID 89403858

IUPAC2,6-difluoro-4-(iodomethyl)benzaldehyde
SMILESO=Cc1c(F)cc(CI)cc1F
InChIInChI=1S/C8H5F2IO/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4H,3H2
InChIKeyBFIYCAGNICQXSY-UHFFFAOYSA-N
MW282.03 g/mol
LogP2.71
Rot. Bonds2

About 2,6-difluoro-4-(iodomethyl)benzaldehyde

2,6-difluoro-4-(iodomethyl)benzaldehyde (PubChem CID 89403858) has the molecular formula C8H5F2IO and a molecular weight of 282.03 g/mol. Its IUPAC name is 2,6-difluoro-4-(iodomethyl)benzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-4-(iodomethyl)benzaldehyde
PubChem CID89403858
Molecular FormulaC8H5F2IO
Molecular Weight282.03 g/mol
Exact Mass281.94
IUPAC Name2,6-difluoro-4-(iodomethyl)benzaldehyde
SMILESO=Cc1c(F)cc(CI)cc1F
InChIInChI=1S/C8H5F2IO/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4H,3H2
InChIKeyBFIYCAGNICQXSY-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.03
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde
CID 240
4-Methylbenzaldehyde
CID 7725
4-Fluorobenzaldehyde
CID 68023
3-(Trifluoromethyl)benzaldehyde
CID 67990
o-Fluorobenzaldehyde
CID 67970
Terephthalaldehyde
CID 12173
4-(Trifluoromethyl)benzaldehyde
CID 67996
2,4-Difluorobenzaldehyde
CID 73770
4-Iodobenzaldehyde
CID 96657
3-Fluorobenzaldehyde
CID 68009
(4-Fluorophenyl)glyoxal
CID 101249
3-Iodobenzaldehyde
CID 252610

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(iodomethyl)benzaldehyde?
The IUPAC name of 2,6-difluoro-4-(iodomethyl)benzaldehyde (CID 89403858) is 2,6-difluoro-4-(iodomethyl)benzaldehyde.
What is the SMILES notation for 2,6-difluoro-4-(iodomethyl)benzaldehyde?
The canonical SMILES for 2,6-difluoro-4-(iodomethyl)benzaldehyde is O=Cc1c(F)cc(CI)cc1F.
What is the InChIKey of 2,6-difluoro-4-(iodomethyl)benzaldehyde?
The InChIKey is BFIYCAGNICQXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IO/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4H,3H2.
What are the key properties of 2,6-difluoro-4-(iodomethyl)benzaldehyde?
2,6-difluoro-4-(iodomethyl)benzaldehyde has a molecular weight of 282.03 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(iodomethyl)benzaldehyde is sourced from PubChem (CID 89403858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).