1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one

C10H8F3IO — CID 118849922

IUPAC1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C10H8F3IO/c1-2-9(15)7-4-3-6(14)5-8(7)10(11,12)13/h3-5H,2H2,1H3
InChIKeySFHQEETVDGJUIM-UHFFFAOYSA-N
MW328.07 g/mol
LogP3.90
Rot. Bonds2

About 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one

1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 118849922) has the molecular formula C10H8F3IO and a molecular weight of 328.07 g/mol. Its IUPAC name is 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID118849922
Molecular FormulaC10H8F3IO
Molecular Weight328.07 g/mol
Exact Mass327.96
IUPAC Name1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C10H8F3IO/c1-2-9(15)7-4-3-6(14)5-8(7)10(11,12)13/h3-5H,2H2,1H3
InChIKeySFHQEETVDGJUIM-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.07
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-[4-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 91882548
1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 71048144
1-[4-methylsulfanyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 118838008
1-[2-(trifluoromethyl)-4-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 166640781
1-[5-iodo-2-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 166640843
4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 171921541
ethyl 5-iodo-2-(trifluoromethyl)benzoate
CID 129319225
1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 150013238
N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide
CID 171921545
3-bromo-1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 134624971
1-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 159661681
ethyl 4-(4-iodophenyl)sulfanyl-2-(trifluoromethyl)benzoate
CID 91878079

Frequently Asked Questions

What is the IUPAC name of 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one (CID 118849922) is 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one is CCC(=O)c1ccc(I)cc1C(F)(F)F.
What is the InChIKey of 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is SFHQEETVDGJUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3IO/c1-2-9(15)7-4-3-6(14)5-8(7)10(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one?
1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 328.07 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 118849922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).