2-(3-fluoro-2-iodophenyl)ethanol

C8H8FIO — CID 67516027

IUPAC2-(3-fluoro-2-iodophenyl)ethanol
SMILESOCCc1cccc(F)c1I
InChIInChI=1S/C8H8FIO/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2
InChIKeyPIUKMQJXBANXES-UHFFFAOYSA-N
MW266.05 g/mol
LogP1.97
Rot. Bonds2

About 2-(3-fluoro-2-iodophenyl)ethanol

2-(3-fluoro-2-iodophenyl)ethanol (PubChem CID 67516027) has the molecular formula C8H8FIO and a molecular weight of 266.05 g/mol. Its IUPAC name is 2-(3-fluoro-2-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-2-iodophenyl)ethanol
PubChem CID67516027
Molecular FormulaC8H8FIO
Molecular Weight266.05 g/mol
Exact Mass265.96
IUPAC Name2-(3-fluoro-2-iodophenyl)ethanol
SMILESOCCc1cccc(F)c1I
InChIInChI=1S/C8H8FIO/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2
InChIKeyPIUKMQJXBANXES-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.05
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-iodophenyl)ethanol?
The IUPAC name of 2-(3-fluoro-2-iodophenyl)ethanol (CID 67516027) is 2-(3-fluoro-2-iodophenyl)ethanol.
What is the SMILES notation for 2-(3-fluoro-2-iodophenyl)ethanol?
The canonical SMILES for 2-(3-fluoro-2-iodophenyl)ethanol is OCCc1cccc(F)c1I.
What is the InChIKey of 2-(3-fluoro-2-iodophenyl)ethanol?
The InChIKey is PIUKMQJXBANXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIO/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2.
What are the key properties of 2-(3-fluoro-2-iodophenyl)ethanol?
2-(3-fluoro-2-iodophenyl)ethanol has a molecular weight of 266.05 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-iodophenyl)ethanol is sourced from PubChem (CID 67516027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).