4-(trifluoromethylselanyl)phenol

C7H5F3OSe — CID 150528652

IUPAC4-(trifluoromethylselanyl)phenol
SMILESOc1ccc([Se]C(F)(F)F)cc1
InChIInChI=1S/C7H5F3OSe/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyIDJHYRVFNATJMK-UHFFFAOYSA-N
MW241.07 g/mol
LogP1.24
Rot. Bonds1

About 4-(trifluoromethylselanyl)phenol

4-(trifluoromethylselanyl)phenol (PubChem CID 150528652) has the molecular formula C7H5F3OSe and a molecular weight of 241.07 g/mol. Its IUPAC name is 4-(trifluoromethylselanyl)phenol.

Molecular Properties

Compound Name4-(trifluoromethylselanyl)phenol
PubChem CID150528652
Molecular FormulaC7H5F3OSe
Molecular Weight241.07 g/mol
Exact Mass241.95
IUPAC Name4-(trifluoromethylselanyl)phenol
SMILESOc1ccc([Se]C(F)(F)F)cc1
InChIInChI=1S/C7H5F3OSe/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyIDJHYRVFNATJMK-UHFFFAOYSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-aminoselanylphenol
CID 174642710
benzene-1,4-diol;hydron
CID 137356428
CID 158795306
CID 158795306
argon;benzene-1,4-diol
CID 71441175
4-(trifluoromethyldisulfanyl)phenol
CID 22485321
calcium;benzene-1,4-diol;hydride
CID 173044185
disodium;benzene-1,4-diol;hydride
CID 173178650
4-methoxyselanylphenol
CID 20836022
benzene-1,4-diol;phosphoric acid
CID 87092335
4-(3,3,3-trifluoroprop-1-en-2-yl)phenol
CID 58177606

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylselanyl)phenol?
The IUPAC name of 4-(trifluoromethylselanyl)phenol (CID 150528652) is 4-(trifluoromethylselanyl)phenol.
What is the SMILES notation for 4-(trifluoromethylselanyl)phenol?
The canonical SMILES for 4-(trifluoromethylselanyl)phenol is Oc1ccc([Se]C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethylselanyl)phenol?
The InChIKey is IDJHYRVFNATJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OSe/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H.
What are the key properties of 4-(trifluoromethylselanyl)phenol?
4-(trifluoromethylselanyl)phenol has a molecular weight of 241.07 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylselanyl)phenol is sourced from PubChem (CID 150528652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).