4-(Trifluoromethyl)phenoxyradical

C7H4F3O — CID 90780540

IUPAC—
SMILES[O]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H4F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
InChIKeyRVTBFVQHBHDXMV-UHFFFAOYSA-N
MW161.10 g/mol
LogP2.85
Rot. Bonds

About 4-(Trifluoromethyl)phenoxyradical

4-(Trifluoromethyl)phenoxyradical (PubChem CID 90780540) has the molecular formula C7H4F3O and a molecular weight of 161.10 g/mol.

Molecular Properties

Compound Name4-(Trifluoromethyl)phenoxyradical
PubChem CID90780540
Molecular FormulaC7H4F3O
Molecular Weight161.10 g/mol
Exact Mass161.02
IUPAC Name—
SMILES[O]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H4F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
InChIKeyRVTBFVQHBHDXMV-UHFFFAOYSA-N
XLogP2.85
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(Trifluoromethyl)phenoxyradical?
The IUPAC name of 4-(Trifluoromethyl)phenoxyradical (CID 90780540) is not available.
What is the SMILES notation for 4-(Trifluoromethyl)phenoxyradical?
The canonical SMILES for 4-(Trifluoromethyl)phenoxyradical is [O]c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(Trifluoromethyl)phenoxyradical?
The InChIKey is RVTBFVQHBHDXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H.
What are the key properties of 4-(Trifluoromethyl)phenoxyradical?
4-(Trifluoromethyl)phenoxyradical has a molecular weight of 161.10 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Trifluoromethyl)phenoxyradical is sourced from PubChem (CID 90780540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).