2-iodo-5-(trifluoromethyl)benzaldehyde

C8H4F3IO — CID 71650906

IUPAC2-iodo-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)ccc1I
InChIInChI=1S/C8H4F3IO/c9-8(10,11)6-1-2-7(12)5(3-6)4-13/h1-4H
InChIKeyCRKFYUIXVLHGLN-UHFFFAOYSA-N
MW300.02 g/mol
LogP3.12
Rot. Bonds1

About 2-iodo-5-(trifluoromethyl)benzaldehyde

2-iodo-5-(trifluoromethyl)benzaldehyde (PubChem CID 71650906) has the molecular formula C8H4F3IO and a molecular weight of 300.02 g/mol. Its IUPAC name is 2-iodo-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-iodo-5-(trifluoromethyl)benzaldehyde
PubChem CID71650906
Molecular FormulaC8H4F3IO
Molecular Weight300.02 g/mol
Exact Mass299.93
IUPAC Name2-iodo-5-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)ccc1I
InChIInChI=1S/C8H4F3IO/c9-8(10,11)6-1-2-7(12)5(3-6)4-13/h1-4H
InChIKeyCRKFYUIXVLHGLN-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.02
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethyl)phthalaldehyde
CID 23496648
[2-formyl-4-(trifluoromethyl)phenyl]oxidanium
CID 147170716
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
[2-formyl-4-(trifluoromethyl)phenyl]boronic acid
CID 53216333
2-(3-sulfanylprop-1-enyl)-4-(trifluoromethyl)benzaldehyde
CID 169455997
5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475774
2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 157049199
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649093
5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]benzaldehyde
CID 169095272
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099
3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde
CID 177468956

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-iodo-5-(trifluoromethyl)benzaldehyde (CID 71650906) is 2-iodo-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-iodo-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-iodo-5-(trifluoromethyl)benzaldehyde is O=Cc1cc(C(F)(F)F)ccc1I.
What is the InChIKey of 2-iodo-5-(trifluoromethyl)benzaldehyde?
The InChIKey is CRKFYUIXVLHGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IO/c9-8(10,11)6-1-2-7(12)5(3-6)4-13/h1-4H.
What are the key properties of 2-iodo-5-(trifluoromethyl)benzaldehyde?
2-iodo-5-(trifluoromethyl)benzaldehyde has a molecular weight of 300.02 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 71650906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).