2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol

C13H8F3N3O — CID 18672824

IUPAC2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1-n1nc2ccccc2n1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-5-6-11(12(20)7-8)19-17-9-3-1-2-4-10(9)18-19/h1-7,20H
InChIKeyYPNKBJCHRLAUSO-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.14
Rot. Bonds1

About 2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol

2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol (PubChem CID 18672824) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol
PubChem CID18672824
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1-n1nc2ccccc2n1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-5-6-11(12(20)7-8)19-17-9-3-1-2-4-10(9)18-19/h1-7,20H
InChIKeyYPNKBJCHRLAUSO-UHFFFAOYSA-N
XLogP3.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol (CID 18672824) is 2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)ccc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The InChIKey is YPNKBJCHRLAUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)8-5-6-11(12(20)7-8)19-17-9-3-1-2-4-10(9)18-19/h1-7,20H.
What are the key properties of 2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol?
2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol has a molecular weight of 279.22 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 18672824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).