1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone

C11H11F2IO2 — CID 171031722

IUPAC1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone
SMILESCCc1cc(OC(F)F)cc(C(C)=O)c1I
InChIInChI=1S/C11H11F2IO2/c1-3-7-4-8(16-11(12)13)5-9(6(2)15)10(7)14/h4-5,11H,3H2,1-2H3
InChIKeyQZEXUUHTAOLIAQ-UHFFFAOYSA-N
MW340.11 g/mol
LogP3.66
Rot. Bonds4

About 1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone

1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone (PubChem CID 171031722) has the molecular formula C11H11F2IO2 and a molecular weight of 340.11 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone
PubChem CID171031722
Molecular FormulaC11H11F2IO2
Molecular Weight340.11 g/mol
Exact Mass339.98
IUPAC Name1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone
SMILESCCc1cc(OC(F)F)cc(C(C)=O)c1I
InChIInChI=1S/C11H11F2IO2/c1-3-7-4-8(16-11(12)13)5-9(6(2)15)10(7)14/h4-5,11H,3H2,1-2H3
InChIKeyQZEXUUHTAOLIAQ-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.11
LogP ≤ 53.66
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-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone
CID 171031662
3-acetyl-5-(difluoromethoxy)-2-iodobenzaldehyde
CID 171032061
1-[3-bromo-5-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 131599898
1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone
CID 171031583
1-[3-(difluoromethoxy)-5-iodophenyl]propan-2-one
CID 118824517
1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone
CID 131629712
1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 171032223
1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
CID 171032429
1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
CID 171031547
(4-acetyl-3-ethylphenyl) hypofluorite
CID 153392017
1-[2-amino-5-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034016
3-acetyl-5-(difluoromethoxy)-4-iodobenzaldehyde
CID 171032052

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone?
The IUPAC name of 1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone (CID 171031722) is 1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone.
What is the SMILES notation for 1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone?
The canonical SMILES for 1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone is CCc1cc(OC(F)F)cc(C(C)=O)c1I.
What is the InChIKey of 1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone?
The InChIKey is QZEXUUHTAOLIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2IO2/c1-3-7-4-8(16-11(12)13)5-9(6(2)15)10(7)14/h4-5,11H,3H2,1-2H3.
What are the key properties of 1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone?
1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone has a molecular weight of 340.11 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone is sourced from PubChem (CID 171031722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).