3,5-difluoro-4-iodophenol

C6H3F2IO — CID 26599212

IUPAC3,5-difluoro-4-iodophenol
SMILESOc1cc(F)c(I)c(F)c1
InChIInChI=1S/C6H3F2IO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKeyKLSDPJZCUXBUSQ-UHFFFAOYSA-N
MW255.99 g/mol
LogP2.28
Rot. Bonds

About 3,5-difluoro-4-iodophenol

3,5-difluoro-4-iodophenol (PubChem CID 26599212) has the molecular formula C6H3F2IO and a molecular weight of 255.99 g/mol. Its IUPAC name is 3,5-difluoro-4-iodophenol.

Molecular Properties

Compound Name3,5-difluoro-4-iodophenol
PubChem CID26599212
Molecular FormulaC6H3F2IO
Molecular Weight255.99 g/mol
Exact Mass255.92
IUPAC Name3,5-difluoro-4-iodophenol
SMILESOc1cc(F)c(I)c(F)c1
InChIInChI=1S/C6H3F2IO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKeyKLSDPJZCUXBUSQ-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.99
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3,5-difluoro-4-iodophenol?
The IUPAC name of 3,5-difluoro-4-iodophenol (CID 26599212) is 3,5-difluoro-4-iodophenol.
What is the SMILES notation for 3,5-difluoro-4-iodophenol?
The canonical SMILES for 3,5-difluoro-4-iodophenol is Oc1cc(F)c(I)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-iodophenol?
The InChIKey is KLSDPJZCUXBUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2IO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H.
What are the key properties of 3,5-difluoro-4-iodophenol?
3,5-difluoro-4-iodophenol has a molecular weight of 255.99 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-iodophenol is sourced from PubChem (CID 26599212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).