1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone

C9H5ClF3IO2 — CID 171006044

IUPAC1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1c(I)ccc(OC(F)(F)F)c1Cl
InChIInChI=1S/C9H5ClF3IO2/c1-4(15)7-5(14)2-3-6(8(7)10)16-9(11,12)13/h2-3H,1H3
InChIKeyFGDSFCGIDYVISA-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.05
Rot. Bonds2

About 1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone

1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone (PubChem CID 171006044) has the molecular formula C9H5ClF3IO2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone
PubChem CID171006044
Molecular FormulaC9H5ClF3IO2
Molecular Weight364.49 g/mol
Exact Mass363.90
IUPAC Name1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1c(I)ccc(OC(F)(F)F)c1Cl
InChIInChI=1S/C9H5ClF3IO2/c1-4(15)7-5(14)2-3-6(8(7)10)16-9(11,12)13/h2-3H,1H3
InChIKeyFGDSFCGIDYVISA-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.05
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-[2-chloro-3-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171001667
1-[2-chloro-4-iodo-6-(trifluoromethoxy)phenyl]ethanone
CID 171005954
1-[5-chloro-2-iodo-4-(trifluoromethoxy)phenyl]ethanone
CID 171009086
6-acetyl-2-chloro-3-(trifluoromethoxy)benzonitrile
CID 171004647
1-[4-iodo-3-(trifluoromethoxy)phenyl]ethanone
CID 170909672
1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131309529
2,3-dichloro-4-(trifluoromethoxy)phenol
CID 119023608
1-(2-chloro-3-ethyl-6-iodophenyl)ethanone
CID 134341687
1-(3-chloro-2-fluoro-6-iodophenyl)ethanone
CID 164892714
1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 131527772
N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide
CID 166071388
1-[6-ethoxy-3-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020281

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone (CID 171006044) is 1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone is CC(=O)c1c(I)ccc(OC(F)(F)F)c1Cl.
What is the InChIKey of 1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is FGDSFCGIDYVISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3IO2/c1-4(15)7-5(14)2-3-6(8(7)10)16-9(11,12)13/h2-3H,1H3.
What are the key properties of 1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone?
1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 364.49 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 171006044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).