1-(3-fluoro-2-iodophenyl)propan-1-one

C9H8FIO — CID 118798307

IUPAC1-(3-fluoro-2-iodophenyl)propan-1-one
SMILESCCC(=O)c1cccc(F)c1I
InChIInChI=1S/C9H8FIO/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5H,2H2,1H3
InChIKeyPRHHUUFMESAEAG-UHFFFAOYSA-N
MW278.06 g/mol
LogP3.02
Rot. Bonds2

About 1-(3-fluoro-2-iodophenyl)propan-1-one

1-(3-fluoro-2-iodophenyl)propan-1-one (PubChem CID 118798307) has the molecular formula C9H8FIO and a molecular weight of 278.06 g/mol. Its IUPAC name is 1-(3-fluoro-2-iodophenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-2-iodophenyl)propan-1-one
PubChem CID118798307
Molecular FormulaC9H8FIO
Molecular Weight278.06 g/mol
Exact Mass277.96
IUPAC Name1-(3-fluoro-2-iodophenyl)propan-1-one
SMILESCCC(=O)c1cccc(F)c1I
InChIInChI=1S/C9H8FIO/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5H,2H2,1H3
InChIKeyPRHHUUFMESAEAG-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 53.02
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

1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
1-(2-ethyl-3-fluorophenyl)propan-1-one
CID 118801897
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
methyl 2-fluoro-3-propanoylbenzoate
CID 178189126
1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
CID 122632912
1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
1-(2-ethyl-6-fluorophenyl)propan-1-one
CID 118835757
ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one
CID 161428232
1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228
(3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone
CID 155803238
1-(2-fluorophenyl)pentane-1,3-dione
CID 28896114
1-(2,3-diaminophenyl)propan-1-one
CID 14773132

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-iodophenyl)propan-1-one?
The IUPAC name of 1-(3-fluoro-2-iodophenyl)propan-1-one (CID 118798307) is 1-(3-fluoro-2-iodophenyl)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-2-iodophenyl)propan-1-one?
The canonical SMILES for 1-(3-fluoro-2-iodophenyl)propan-1-one is CCC(=O)c1cccc(F)c1I.
What is the InChIKey of 1-(3-fluoro-2-iodophenyl)propan-1-one?
The InChIKey is PRHHUUFMESAEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIO/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5H,2H2,1H3.
What are the key properties of 1-(3-fluoro-2-iodophenyl)propan-1-one?
1-(3-fluoro-2-iodophenyl)propan-1-one has a molecular weight of 278.06 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-iodophenyl)propan-1-one is sourced from PubChem (CID 118798307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).