1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone

C10H8F3IO2 — CID 131309529

IUPAC1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
SMILESCOc1ccc(I)c(C(C)=O)c1C(F)(F)F
InChIInChI=1S/C10H8F3IO2/c1-5(15)8-6(14)3-4-7(16-2)9(8)10(11,12)13/h3-4H,1-2H3
InChIKeyAOQVUDQCZFHVBJ-UHFFFAOYSA-N
MW344.07 g/mol
LogP3.52
Rot. Bonds2

About 1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone

1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 131309529) has the molecular formula C10H8F3IO2 and a molecular weight of 344.07 g/mol. Its IUPAC name is 1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
PubChem CID131309529
Molecular FormulaC10H8F3IO2
Molecular Weight344.07 g/mol
Exact Mass343.95
IUPAC Name1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
SMILESCOc1ccc(I)c(C(C)=O)c1C(F)(F)F
InChIInChI=1S/C10H8F3IO2/c1-5(15)8-6(14)3-4-7(16-2)9(8)10(11,12)13/h3-4H,1-2H3
InChIKeyAOQVUDQCZFHVBJ-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.07
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-hydroxy-6-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171025605
1-[2-iodo-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 131309518
1-[6-methoxy-3-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 170996815
1-[6-ethoxy-3-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020281
1-[2-bromo-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 171008290
1-[3-iodo-5-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 131309524
1-[2-chloro-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 118999965
2-acetyl-6-iodo-3-methoxybenzaldehyde
CID 171015394
1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone
CID 171006044
1-[2-fluoro-6-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171012571
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391

Frequently Asked Questions

What is the IUPAC name of 1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone (CID 131309529) is 1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone is COc1ccc(I)c(C(C)=O)c1C(F)(F)F.
What is the InChIKey of 1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is AOQVUDQCZFHVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3IO2/c1-5(15)8-6(14)3-4-7(16-2)9(8)10(11,12)13/h3-4H,1-2H3.
What are the key properties of 1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone?
1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 344.07 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 131309529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).