2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride

C9H3ClF3IO2 — CID 171021154

IUPAC2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride
SMILESO=Cc1cc(I)cc(C(F)(F)F)c1C(=O)Cl
InChIInChI=1S/C9H3ClF3IO2/c10-8(16)7-4(3-15)1-5(14)2-6(7)9(11,12)13/h1-3H
InChIKeyXUWCYWDTRGFSDA-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.50
Rot. Bonds2

About 2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride

2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride (PubChem CID 171021154) has the molecular formula C9H3ClF3IO2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride
PubChem CID171021154
Molecular FormulaC9H3ClF3IO2
Molecular Weight362.47 g/mol
Exact Mass361.88
IUPAC Name2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride
SMILESO=Cc1cc(I)cc(C(F)(F)F)c1C(=O)Cl
InChIInChI=1S/C9H3ClF3IO2/c10-8(16)7-4(3-15)1-5(14)2-6(7)9(11,12)13/h1-3H
InChIKeyXUWCYWDTRGFSDA-UHFFFAOYSA-N
XLogP3.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-formyl-4-iodo-2-(trifluoromethyl)benzoyl chloride
CID 171021507
2-formyl-4,5-bis(trifluoromethyl)benzoyl chloride
CID 118828279
2-formyl-6-methyl-4-(trifluoromethyl)benzoyl chloride
CID 171015011
2-acetyl-5-fluoro-3-(trifluoromethyl)benzaldehyde
CID 171008550
4-bromo-2,6-bis(trifluoromethyl)benzoyl chloride
CID 134618372
2-(2-chloroacetyl)-5-methyl-3-(trifluoromethyl)benzaldehyde
CID 171014687
3-formyl-5-iodo-4-(trifluoromethyl)benzoyl chloride
CID 171021819
3-(2-bromoacetyl)-5-iodo-2-(trifluoromethyl)benzaldehyde
CID 171021631
2-(2-bromoacetyl)-4-iodo-6-(trifluoromethyl)benzaldehyde
CID 171022091
4-cyano-2-formyl-6-(trifluoromethyl)benzamide
CID 171012009
2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171023863
3-formyl-5-iodo-2-methoxybenzoyl chloride
CID 171015865

Frequently Asked Questions

What is the IUPAC name of 2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride (CID 171021154) is 2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride is O=Cc1cc(I)cc(C(F)(F)F)c1C(=O)Cl.
What is the InChIKey of 2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride?
The InChIKey is XUWCYWDTRGFSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF3IO2/c10-8(16)7-4(3-15)1-5(14)2-6(7)9(11,12)13/h1-3H.
What are the key properties of 2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride?
2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride has a molecular weight of 362.47 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 171021154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).