1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene

C14H11ClFI — CID 55224826

IUPAC1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene
SMILESFc1ccc(CC(Cl)c2ccc(I)cc2)cc1
InChIInChI=1S/C14H11ClFI/c15-14(11-3-7-13(17)8-4-11)9-10-1-5-12(16)6-2-10/h1-8,14H,9H2
InChIKeyJSXNREJIPOXYCO-UHFFFAOYSA-N
MW360.60 g/mol
LogP4.95
Rot. Bonds3

About 1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene

1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene (PubChem CID 55224826) has the molecular formula C14H11ClFI and a molecular weight of 360.60 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene
PubChem CID55224826
Molecular FormulaC14H11ClFI
Molecular Weight360.60 g/mol
Exact Mass359.96
IUPAC Name1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene
SMILESFc1ccc(CC(Cl)c2ccc(I)cc2)cc1
InChIInChI=1S/C14H11ClFI/c15-14(11-3-7-13(17)8-4-11)9-10-1-5-12(16)6-2-10/h1-8,14H,9H2
InChIKeyJSXNREJIPOXYCO-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.60
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene
CID 63520066
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
1-(4-fluorophenyl)-3-(4-iodophenyl)propan-2-ol
CID 65477274
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65479163
3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
CID 63518110
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
CID 65477236
2-chloro-2-(4-fluorophenyl)ethanol
CID 57194845
5-[1-chloro-2-(4-fluorophenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83067979
2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
CID 61085033
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene?
The IUPAC name of 1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene (CID 55224826) is 1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene.
What is the SMILES notation for 1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene?
The canonical SMILES for 1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene is Fc1ccc(CC(Cl)c2ccc(I)cc2)cc1.
What is the InChIKey of 1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene?
The InChIKey is JSXNREJIPOXYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFI/c15-14(11-3-7-13(17)8-4-11)9-10-1-5-12(16)6-2-10/h1-8,14H,9H2.
What are the key properties of 1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene?
1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene has a molecular weight of 360.60 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene is sourced from PubChem (CID 55224826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).