1-(5-fluoro-2-iodophenyl)propan-2-one

C9H8FIO — CID 118852730

IUPAC1-(5-fluoro-2-iodophenyl)propan-2-one
SMILESCC(=O)Cc1cc(F)ccc1I
InChIInChI=1S/C9H8FIO/c1-6(12)4-7-5-8(10)2-3-9(7)11/h2-3,5H,4H2,1H3
InChIKeyCMWAWIUVEKYDGR-UHFFFAOYSA-N
MW278.06 g/mol
LogP2.56
Rot. Bonds2

About 1-(5-fluoro-2-iodophenyl)propan-2-one

1-(5-fluoro-2-iodophenyl)propan-2-one (PubChem CID 118852730) has the molecular formula C9H8FIO and a molecular weight of 278.06 g/mol. Its IUPAC name is 1-(5-fluoro-2-iodophenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-iodophenyl)propan-2-one
PubChem CID118852730
Molecular FormulaC9H8FIO
Molecular Weight278.06 g/mol
Exact Mass277.96
IUPAC Name1-(5-fluoro-2-iodophenyl)propan-2-one
SMILESCC(=O)Cc1cc(F)ccc1I
InChIInChI=1S/C9H8FIO/c1-6(12)4-7-5-8(10)2-3-9(7)11/h2-3,5H,4H2,1H3
InChIKeyCMWAWIUVEKYDGR-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

2-[5-fluoro-2-(2-oxopropyl)phenyl]acetamide
CID 174850108
4-fluoro-1-iodo-2-propylbenzene
CID 126738396
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
2-(bromomethyl)-4-fluoro-1-iodobenzene
CID 75412008
O-[(5-fluoro-2-iodophenyl)methyl]hydroxylamine
CID 130051922
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
1-(7-fluoroquinolin-2-yl)propan-2-one
CID 82241337
4-(2,4-difluorophenyl)butan-2-one
CID 62197971
1-(2,3-diiodophenyl)propan-2-one
CID 118847001
4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene
CID 164896501
N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355
1-[2-(bromomethyl)-4-fluoro-6-iodophenyl]ethanone
CID 131992624

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-iodophenyl)propan-2-one?
The IUPAC name of 1-(5-fluoro-2-iodophenyl)propan-2-one (CID 118852730) is 1-(5-fluoro-2-iodophenyl)propan-2-one.
What is the SMILES notation for 1-(5-fluoro-2-iodophenyl)propan-2-one?
The canonical SMILES for 1-(5-fluoro-2-iodophenyl)propan-2-one is CC(=O)Cc1cc(F)ccc1I.
What is the InChIKey of 1-(5-fluoro-2-iodophenyl)propan-2-one?
The InChIKey is CMWAWIUVEKYDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIO/c1-6(12)4-7-5-8(10)2-3-9(7)11/h2-3,5H,4H2,1H3.
What are the key properties of 1-(5-fluoro-2-iodophenyl)propan-2-one?
1-(5-fluoro-2-iodophenyl)propan-2-one has a molecular weight of 278.06 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-iodophenyl)propan-2-one is sourced from PubChem (CID 118852730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).