2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one

C10H8ClF2IO2 — CID 134619508

IUPAC2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one
SMILESCC(Cl)C(=O)c1cc(I)ccc1OC(F)F
InChIInChI=1S/C10H8ClF2IO2/c1-5(11)9(15)7-4-6(14)2-3-8(7)16-10(12)13/h2-5,10H,1H3
InChIKeyIVKNBPGXBNDQBJ-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.70
Rot. Bonds4

About 2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one

2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one (PubChem CID 134619508) has the molecular formula C10H8ClF2IO2 and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one
PubChem CID134619508
Molecular FormulaC10H8ClF2IO2
Molecular Weight360.53 g/mol
Exact Mass359.92
IUPAC Name2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one
SMILESCC(Cl)C(=O)c1cc(I)ccc1OC(F)F
InChIInChI=1S/C10H8ClF2IO2/c1-5(11)9(15)7-4-6(14)2-3-8(7)16-10(12)13/h2-5,10H,1H3
InChIKeyIVKNBPGXBNDQBJ-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one
CID 134619501
2-chloro-1-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018232
2-chloro-1-(2,4-diiodophenyl)propan-1-one
CID 131191419
2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
CID 134619294
ethyl 5-(2-chloropropanoyl)-2-(difluoromethoxy)benzoate
CID 134645004
2-chloro-1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619683
2-chloro-1-[3-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619579
2-chloro-1-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619492
1-[3-bromo-2-(difluoromethoxy)phenyl]-2-chloropropan-1-one
CID 134625182
2-chloro-1-[2-(difluoromethoxy)-6-(trifluoromethoxy)phenyl]propan-1-one
CID 134619510
2-bromo-1-[4-(difluoromethoxy)-3-methylphenyl]propan-1-one
CID 135743391
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one?
The IUPAC name of 2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one (CID 134619508) is 2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one?
The canonical SMILES for 2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one is CC(Cl)C(=O)c1cc(I)ccc1OC(F)F.
What is the InChIKey of 2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one?
The InChIKey is IVKNBPGXBNDQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2IO2/c1-5(11)9(15)7-4-6(14)2-3-8(7)16-10(12)13/h2-5,10H,1H3.
What are the key properties of 2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one?
2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one has a molecular weight of 360.53 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(difluoromethoxy)-5-iodophenyl]propan-1-one is sourced from PubChem (CID 134619508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).