1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one

C10H9F2IO2 — CID 118818764

IUPAC1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one
SMILESCC(=O)Cc1c(I)cccc1OC(F)F
InChIInChI=1S/C10H9F2IO2/c1-6(14)5-7-8(13)3-2-4-9(7)15-10(11)12/h2-4,10H,5H2,1H3
InChIKeyFJOMNTJGUSIZFT-UHFFFAOYSA-N
MW326.08 g/mol
LogP3.02
Rot. Bonds4

About 1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one

1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one (PubChem CID 118818764) has the molecular formula C10H9F2IO2 and a molecular weight of 326.08 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one
PubChem CID118818764
Molecular FormulaC10H9F2IO2
Molecular Weight326.08 g/mol
Exact Mass325.96
IUPAC Name1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one
SMILESCC(=O)Cc1c(I)cccc1OC(F)F
InChIInChI=1S/C10H9F2IO2/c1-6(14)5-7-8(13)3-2-4-9(7)15-10(11)12/h2-4,10H,5H2,1H3
InChIKeyFJOMNTJGUSIZFT-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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-[2-(difluoromethoxy)-6-sulfanylphenyl]propan-2-one
CID 118830051
1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one
CID 118835704
2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid
CID 118826177
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
2-(difluoromethoxy)-6-(2-oxopropyl)benzonitrile
CID 118808954
3-bromo-1-[2-(difluoromethoxy)-6-iodophenyl]propan-1-one
CID 134625152
1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118852546
2-[2-(difluoromethoxy)-5-(2-oxopropyl)phenyl]acetic acid
CID 118809070
4-(difluoromethoxy)-3-(2-oxopropyl)benzaldehyde
CID 118801726
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118835915
ethyl 3-[3-(difluoromethoxy)-2-iodophenyl]propanoate
CID 134632496

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one?
The IUPAC name of 1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one (CID 118818764) is 1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one?
The canonical SMILES for 1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one is CC(=O)Cc1c(I)cccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one?
The InChIKey is FJOMNTJGUSIZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2IO2/c1-6(14)5-7-8(13)3-2-4-9(7)15-10(11)12/h2-4,10H,5H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one?
1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one has a molecular weight of 326.08 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one is sourced from PubChem (CID 118818764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).