2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone

C14H9ClFIO — CID 103042866

IUPAC2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)c1ccc(I)cc1
InChIInChI=1S/C14H9ClFIO/c15-12-7-9(1-6-13(12)16)8-14(18)10-2-4-11(17)5-3-10/h1-7H,8H2
InChIKeyQZVYRUMFWHCBDD-UHFFFAOYSA-N
MW374.58 g/mol
LogP4.51
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone

2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone (PubChem CID 103042866) has the molecular formula C14H9ClFIO and a molecular weight of 374.58 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
PubChem CID103042866
Molecular FormulaC14H9ClFIO
Molecular Weight374.58 g/mol
Exact Mass373.94
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)c1ccc(I)cc1
InChIInChI=1S/C14H9ClFIO/c15-12-7-9(1-6-13(12)16)8-14(18)10-2-4-11(17)5-3-10/h1-7H,8H2
InChIKeyQZVYRUMFWHCBDD-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 54.51
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-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 103042731
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 103042833
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone
CID 103213897
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
2-(3-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 107967879
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515
1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 103214014

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone (CID 103042866) is 2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone is O=C(Cc1ccc(F)c(Cl)c1)c1ccc(I)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone?
The InChIKey is QZVYRUMFWHCBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFIO/c15-12-7-9(1-6-13(12)16)8-14(18)10-2-4-11(17)5-3-10/h1-7H,8H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone has a molecular weight of 374.58 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 103042866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).