1-fluoro-2-(2-iodoethyl)benzene

C8H8FI — CID 11021288

IUPAC1-fluoro-2-(2-iodoethyl)benzene
SMILESFc1ccccc1CCI
InChIInChI=1S/C8H8FI/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6H2
InChIKeyDTVSVMHVPOMAQZ-UHFFFAOYSA-N
MW250.05 g/mol
LogP2.80
Rot. Bonds2

About 1-fluoro-2-(2-iodoethyl)benzene

1-fluoro-2-(2-iodoethyl)benzene (PubChem CID 11021288) has the molecular formula C8H8FI and a molecular weight of 250.05 g/mol. Its IUPAC name is 1-fluoro-2-(2-iodoethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(2-iodoethyl)benzene
PubChem CID11021288
Molecular FormulaC8H8FI
Molecular Weight250.05 g/mol
Exact Mass249.97
IUPAC Name1-fluoro-2-(2-iodoethyl)benzene
SMILESFc1ccccc1CCI
InChIInChI=1S/C8H8FI/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6H2
InChIKeyDTVSVMHVPOMAQZ-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.05
LogP ≤ 52.80
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'}

Analyze 1-fluoro-2-(2-iodoethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene
CID 67503932
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
azane;1-fluoro-2-(fluoromethyl)benzene
CID 174977857
1-fluoro-2-(5-phenylpentyl)benzene
CID 90957769
3-(2-fluorophenyl)propanoic acid
CID 2063866
1-fluoro-2-heptylbenzene
CID 20721019
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
4-(2-fluorophenyl)butan-2-ol
CID 12618518
2-(2-fluorophenyl)ethanesulfonyl chloride
CID 2759096
1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene
CID 87128685
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-iodoethyl)benzene?
The IUPAC name of 1-fluoro-2-(2-iodoethyl)benzene (CID 11021288) is 1-fluoro-2-(2-iodoethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(2-iodoethyl)benzene?
The canonical SMILES for 1-fluoro-2-(2-iodoethyl)benzene is Fc1ccccc1CCI.
What is the InChIKey of 1-fluoro-2-(2-iodoethyl)benzene?
The InChIKey is DTVSVMHVPOMAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FI/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6H2.
What are the key properties of 1-fluoro-2-(2-iodoethyl)benzene?
1-fluoro-2-(2-iodoethyl)benzene has a molecular weight of 250.05 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-iodoethyl)benzene is sourced from PubChem (CID 11021288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).