2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol

C8H6F4INO — CID 91276321

IUPAC2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol
SMILESOCCNc1c(F)c(F)c(I)c(F)c1F
InChIInChI=1S/C8H6F4INO/c9-3-5(11)8(14-1-2-15)6(12)4(10)7(3)13/h14-15H,1-2H2
InChIKeyIARLALMRHXZOKL-UHFFFAOYSA-N
MW335.04 g/mol
LogP2.25
Rot. Bonds3

About 2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol

2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol (PubChem CID 91276321) has the molecular formula C8H6F4INO and a molecular weight of 335.04 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol
PubChem CID91276321
Molecular FormulaC8H6F4INO
Molecular Weight335.04 g/mol
Exact Mass334.94
IUPAC Name2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol
SMILESOCCNc1c(F)c(F)c(I)c(F)c1F
InChIInChI=1S/C8H6F4INO/c9-3-5(11)8(14-1-2-15)6(12)4(10)7(3)13/h14-15H,1-2H2
InChIKeyIARLALMRHXZOKL-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol?
The IUPAC name of 2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol (CID 91276321) is 2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol.
What is the SMILES notation for 2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol?
The canonical SMILES for 2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol is OCCNc1c(F)c(F)c(I)c(F)c1F.
What is the InChIKey of 2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol?
The InChIKey is IARLALMRHXZOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4INO/c9-3-5(11)8(14-1-2-15)6(12)4(10)7(3)13/h14-15H,1-2H2.
What are the key properties of 2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol?
2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol has a molecular weight of 335.04 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluoro-4-iodoanilino)ethanol is sourced from PubChem (CID 91276321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).