2,3,5-trifluorophenol

C6H3F3O — CID 2733311

IUPAC2,3,5-trifluorophenol
SMILESOc1cc(F)cc(F)c1F
InChIInChI=1S/C6H3F3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
InChIKeyJNZQXSIWHRRMNO-UHFFFAOYSA-N
MW148.08 g/mol
LogP1.81
Rot. Bonds

About 2,3,5-trifluorophenol

2,3,5-trifluorophenol (PubChem CID 2733311) has the molecular formula C6H3F3O and a molecular weight of 148.08 g/mol. Its IUPAC name is 2,3,5-trifluorophenol.

Molecular Properties

Compound Name2,3,5-trifluorophenol
PubChem CID2733311
Molecular FormulaC6H3F3O
Molecular Weight148.08 g/mol
Exact Mass148.01
IUPAC Name2,3,5-trifluorophenol
SMILESOc1cc(F)cc(F)c1F
InChIInChI=1S/C6H3F3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
InChIKeyJNZQXSIWHRRMNO-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.08
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluorophenol?
The IUPAC name of 2,3,5-trifluorophenol (CID 2733311) is 2,3,5-trifluorophenol.
What is the SMILES notation for 2,3,5-trifluorophenol?
The canonical SMILES for 2,3,5-trifluorophenol is Oc1cc(F)cc(F)c1F.
What is the InChIKey of 2,3,5-trifluorophenol?
The InChIKey is JNZQXSIWHRRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H.
What are the key properties of 2,3,5-trifluorophenol?
2,3,5-trifluorophenol has a molecular weight of 148.08 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluorophenol is sourced from PubChem (CID 2733311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).