1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone

C11H11F2IO — CID 131629712

IUPAC1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone
SMILESCCc1cc(I)c(C(C)=O)cc1C(F)F
InChIInChI=1S/C11H11F2IO/c1-3-7-4-10(14)8(6(2)15)5-9(7)11(12)13/h4-5,11H,3H2,1-2H3
InChIKeyMRBWZUMIMUDVSX-UHFFFAOYSA-N
MW324.11 g/mol
LogP3.99
Rot. Bonds3

About 1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone

1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone (PubChem CID 131629712) has the molecular formula C11H11F2IO and a molecular weight of 324.11 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone
PubChem CID131629712
Molecular FormulaC11H11F2IO
Molecular Weight324.11 g/mol
Exact Mass323.98
IUPAC Name1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone
SMILESCCc1cc(I)c(C(C)=O)cc1C(F)F
InChIInChI=1S/C11H11F2IO/c1-3-7-4-10(14)8(6(2)15)5-9(7)11(12)13/h4-5,11H,3H2,1-2H3
InChIKeyMRBWZUMIMUDVSX-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.11
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-2-(difluoromethyl)-5-iodobenzonitrile
CID 131327030
5-acetyl-2-ethyl-4-iodobenzonitrile
CID 131565810
1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
CID 171031547
1-[2-bromo-4-(difluoromethyl)-5-iodophenyl]ethanone
CID 131547407
1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
CID 171032429
1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone
CID 171031722
1-[3-(difluoromethyl)-2-ethyl-5-methylphenyl]ethanone
CID 131626151
1-[5-(difluoromethyl)-2-ethoxy-3-iodophenyl]ethanone
CID 171032479
1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
CID 131310764
2-acetyl-5-(difluoromethyl)-4-iodobenzaldehyde
CID 131629832
4-acetyl-5-(difluoromethyl)-2-iodobenzonitrile
CID 131327034
1-[5-chloro-3-(difluoromethyl)-2-iodophenyl]ethanone
CID 171009758

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone?
The IUPAC name of 1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone (CID 131629712) is 1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone.
What is the SMILES notation for 1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone?
The canonical SMILES for 1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone is CCc1cc(I)c(C(C)=O)cc1C(F)F.
What is the InChIKey of 1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone?
The InChIKey is MRBWZUMIMUDVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2IO/c1-3-7-4-10(14)8(6(2)15)5-9(7)11(12)13/h4-5,11H,3H2,1-2H3.
What are the key properties of 1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone?
1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone has a molecular weight of 324.11 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone is sourced from PubChem (CID 131629712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).