4-(trifluoromethyl)(18F)phenol

C7H5F3O — CID 71660610

IUPAC4-(trifluoromethyl)(18F)phenol
SMILESOc1ccc(C(F)(F)[18F])cc1
InChIInChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H/i8-1
InChIKeyBAYGVMXZJBFEMB-COJKEBBMSA-N
MW161.11 g/mol
LogP2.41
Rot. Bonds

About 4-(trifluoromethyl)(18F)phenol

4-(trifluoromethyl)(18F)phenol (PubChem CID 71660610) has the molecular formula C7H5F3O and a molecular weight of 161.11 g/mol. Its IUPAC name is 4-(trifluoromethyl)(18F)phenol.

Molecular Properties

Compound Name4-(trifluoromethyl)(18F)phenol
PubChem CID71660610
Molecular FormulaC7H5F3O
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name4-(trifluoromethyl)(18F)phenol
SMILESOc1ccc(C(F)(F)[18F])cc1
InChIInChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H/i8-1
InChIKeyBAYGVMXZJBFEMB-COJKEBBMSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)(18F)phenol?
The IUPAC name of 4-(trifluoromethyl)(18F)phenol (CID 71660610) is 4-(trifluoromethyl)(18F)phenol.
What is the SMILES notation for 4-(trifluoromethyl)(18F)phenol?
The canonical SMILES for 4-(trifluoromethyl)(18F)phenol is Oc1ccc(C(F)(F)[18F])cc1.
What is the InChIKey of 4-(trifluoromethyl)(18F)phenol?
The InChIKey is BAYGVMXZJBFEMB-COJKEBBMSA-N. The full InChI is InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H/i8-1.
What are the key properties of 4-(trifluoromethyl)(18F)phenol?
4-(trifluoromethyl)(18F)phenol has a molecular weight of 161.11 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)(18F)phenol is sourced from PubChem (CID 71660610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).