2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride

C10H6ClF3O3 — CID 171023863

IUPAC2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride
SMILESCOc1cc(C=O)c(C(=O)Cl)cc1C(F)(F)F
InChIInChI=1S/C10H6ClF3O3/c1-17-8-2-5(4-15)6(9(11)16)3-7(8)10(12,13)14/h2-4H,1H3
InChIKeyOJOQOYVKCFKRJJ-UHFFFAOYSA-N
MW266.60 g/mol
LogP2.91
Rot. Bonds3

About 2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride

2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride (PubChem CID 171023863) has the molecular formula C10H6ClF3O3 and a molecular weight of 266.60 g/mol. Its IUPAC name is 2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride
PubChem CID171023863
Molecular FormulaC10H6ClF3O3
Molecular Weight266.60 g/mol
Exact Mass266.00
IUPAC Name2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride
SMILESCOc1cc(C=O)c(C(=O)Cl)cc1C(F)(F)F
InChIInChI=1S/C10H6ClF3O3/c1-17-8-2-5(4-15)6(9(11)16)3-7(8)10(12,13)14/h2-4H,1H3
InChIKeyOJOQOYVKCFKRJJ-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.60
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-formyl-4,5-bis(trifluoromethyl)benzoyl chloride
CID 118828279
2-(2-bromoacetyl)-4-methoxy-5-(trifluoromethyl)benzaldehyde
CID 171024003
2-cyano-4-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171026922
4-cyano-2-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171026906
2-formyl-5-methoxy-4-nitrobenzoyl chloride
CID 171023304
5-ethoxy-2-methoxy-4-(trifluoromethyl)benzaldehyde
CID 171417410
5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
CID 131331528
5-formyl-2-iodo-4-methoxybenzoyl chloride
CID 171015548
5-formyl-4-iodo-2-(trifluoromethyl)benzoyl chloride
CID 171021507
2-fluoro-3-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171020416
2-acetyl-4-chloro-5-methoxybenzaldehyde
CID 171002422
5-bromo-3-methoxy-2-(trifluoromethyl)benzoyl chloride
CID 171003829

Frequently Asked Questions

What is the IUPAC name of 2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride (CID 171023863) is 2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride is COc1cc(C=O)c(C(=O)Cl)cc1C(F)(F)F.
What is the InChIKey of 2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride?
The InChIKey is OJOQOYVKCFKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3O3/c1-17-8-2-5(4-15)6(9(11)16)3-7(8)10(12,13)14/h2-4H,1H3.
What are the key properties of 2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride?
2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride has a molecular weight of 266.60 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 171023863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).