2,3,4-trifluoro-6-methylphenol

C7H5F3O — CID 54304883

IUPAC2,3,4-trifluoro-6-methylphenol
SMILESCc1cc(F)c(F)c(F)c1O
InChIInChI=1S/C7H5F3O/c1-3-2-4(8)5(9)6(10)7(3)11/h2,11H,1H3
InChIKeySGUNIUCZAXISLF-UHFFFAOYSA-N
MW162.11 g/mol
LogP2.12
Rot. Bonds

About 2,3,4-trifluoro-6-methylphenol

2,3,4-trifluoro-6-methylphenol (PubChem CID 54304883) has the molecular formula C7H5F3O and a molecular weight of 162.11 g/mol. Its IUPAC name is 2,3,4-trifluoro-6-methylphenol.

Molecular Properties

Compound Name2,3,4-trifluoro-6-methylphenol
PubChem CID54304883
Molecular FormulaC7H5F3O
Molecular Weight162.11 g/mol
Exact Mass162.03
IUPAC Name2,3,4-trifluoro-6-methylphenol
SMILESCc1cc(F)c(F)c(F)c1O
InChIInChI=1S/C7H5F3O/c1-3-2-4(8)5(9)6(10)7(3)11/h2,11H,1H3
InChIKeySGUNIUCZAXISLF-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-6-methylphenol?
The IUPAC name of 2,3,4-trifluoro-6-methylphenol (CID 54304883) is 2,3,4-trifluoro-6-methylphenol.
What is the SMILES notation for 2,3,4-trifluoro-6-methylphenol?
The canonical SMILES for 2,3,4-trifluoro-6-methylphenol is Cc1cc(F)c(F)c(F)c1O.
What is the InChIKey of 2,3,4-trifluoro-6-methylphenol?
The InChIKey is SGUNIUCZAXISLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O/c1-3-2-4(8)5(9)6(10)7(3)11/h2,11H,1H3.
What are the key properties of 2,3,4-trifluoro-6-methylphenol?
2,3,4-trifluoro-6-methylphenol has a molecular weight of 162.11 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-6-methylphenol is sourced from PubChem (CID 54304883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).