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

C13H7ClF3N3O — CID 18672846

IUPAC2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1-n1nc2ccc(Cl)cc2n1
InChIInChI=1S/C13H7ClF3N3O/c14-8-2-3-9-10(6-8)19-20(18-9)11-4-1-7(5-12(11)21)13(15,16)17/h1-6,21H
InChIKeyNPQIGTKCEZQSKE-UHFFFAOYSA-N
MW313.67 g/mol
LogP3.80
Rot. Bonds1

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

2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol (PubChem CID 18672846) has the molecular formula C13H7ClF3N3O and a molecular weight of 313.67 g/mol. Its IUPAC name is 2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol
PubChem CID18672846
Molecular FormulaC13H7ClF3N3O
Molecular Weight313.67 g/mol
Exact Mass313.02
IUPAC Name2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1-n1nc2ccc(Cl)cc2n1
InChIInChI=1S/C13H7ClF3N3O/c14-8-2-3-9-10(6-8)19-20(18-9)11-4-1-7(5-12(11)21)13(15,16)17/h1-6,21H
InChIKeyNPQIGTKCEZQSKE-UHFFFAOYSA-N
XLogP3.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.67
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Benzotriazol-2-yl)-6-chloro-4-methylphenol
CID 1548153
2-(2H-Benzotriazol-2-yl)-5-methylphenol
CID 614392
Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
CID 3014188
2-(5-Chloro-2H-benzotriazol-2-yl)-4-methyl-phenol
CID 13130203
2(2-Hydroxy-4-vinylphenyl)-2h-benzotriazole
CID 21621567
2-(5-Chlorobenzotriazol-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 85698383
2-(5-Chlor-2h-benzotriazol-2-yl)-4,6-bis(2-methyl-2-propanyl)phenol
CID 142648076
2-(5-Methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol
CID 18672818
2-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)benzotriazol-2-yl]-5-(trifluoromethyl)phenol
CID 18672822
2-(Benzotriazol-2-yl)-5-(trifluoromethyl)phenol
CID 18672824
2-(Benzotriazol-2-yl)-4-(trifluoromethyl)phenol
CID 18672826
2-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)benzotriazol-2-yl]-5-methylphenol
CID 18672832

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol (CID 18672846) is 2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)ccc1-n1nc2ccc(Cl)cc2n1.
What is the InChIKey of 2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The InChIKey is NPQIGTKCEZQSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3O/c14-8-2-3-9-10(6-8)19-20(18-9)11-4-1-7(5-12(11)21)13(15,16)17/h1-6,21H.
What are the key properties of 2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol has a molecular weight of 313.67 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorobenzotriazol-2-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 18672846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).