1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one

C10H9F2IO2 — CID 118813012

IUPAC1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC(F)F)c(I)c1
InChIInChI=1S/C10H9F2IO2/c1-2-8(14)6-3-4-9(7(13)5-6)15-10(11)12/h3-5,10H,2H2,1H3
InChIKeyKKPIMGOQQVOJJB-UHFFFAOYSA-N
MW326.08 g/mol
LogP3.49
Rot. Bonds4

About 1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one

1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one (PubChem CID 118813012) has the molecular formula C10H9F2IO2 and a molecular weight of 326.08 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one
PubChem CID118813012
Molecular FormulaC10H9F2IO2
Molecular Weight326.08 g/mol
Exact Mass325.96
IUPAC Name1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC(F)F)c(I)c1
InChIInChI=1S/C10H9F2IO2/c1-2-8(14)6-3-4-9(7(13)5-6)15-10(11)12/h3-5,10H,2H2,1H3
InChIKeyKKPIMGOQQVOJJB-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.08
LogP ≤ 53.49
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-[3-(difluoromethoxy)-4-iodophenyl]propan-1-one
CID 134622430
1-(difluoromethoxy)-2-iodo-4-methylbenzene
CID 118823118
1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
CID 170996131
3-[4-(difluoromethoxy)-3-iodophenyl]propanoic acid
CID 134622013
1-(3-iodo-4-propan-2-yloxyphenyl)ethanone
CID 153246357
1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one
CID 142284690
2-hydroxy-2-(2-iodo-4-propanoylphenyl)acetic acid
CID 134657448
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one
CID 118841301
1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134628763
3-bromo-1-[4-(difluoromethoxy)-3-fluorophenyl]propan-1-one
CID 134625396
ethyl 4-(difluoromethoxy)-3-hydroxybenzoate
CID 125496568

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one?
The IUPAC name of 1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one (CID 118813012) is 1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one is CCC(=O)c1ccc(OC(F)F)c(I)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one?
The InChIKey is KKPIMGOQQVOJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2IO2/c1-2-8(14)6-3-4-9(7(13)5-6)15-10(11)12/h3-5,10H,2H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one?
1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one has a molecular weight of 326.08 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one is sourced from PubChem (CID 118813012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).