2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole

C14H10F3N3O — CID 127035090

IUPAC2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole
SMILESCOc1ccc(-n2nc3ccc(C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C14H10F3N3O/c1-21-11-5-3-10(4-6-11)20-18-12-7-2-9(14(15,16)17)8-13(12)19-20/h2-8H,1H3
InChIKeyZDMCQEJYDFICFK-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.45
Rot. Bonds2

About 2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole

2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole (PubChem CID 127035090) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole
PubChem CID127035090
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole
SMILESCOc1ccc(-n2nc3ccc(C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C14H10F3N3O/c1-21-11-5-3-10(4-6-11)20-18-12-7-2-9(14(15,16)17)8-13(12)19-20/h2-8H,1H3
InChIKeyZDMCQEJYDFICFK-UHFFFAOYSA-N
XLogP3.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Ethoxyphenyl)-6-methyl-2H-benzotriazol-5-amine
CID 675395
(Z)-benzotriazol-1-yl(p-anisylidene)amine
CID 5390937
2-(2-ethoxy-5-methylphenyl)-2H-benzotriazole
CID 717829
2-(2-Methoxy-5-methylphenyl)benzotriazole
CID 576258
2-(4-Methoxyphenyl)benzotriazole
CID 658624
2,2-Dimethyl-3-[4-(5-methylbenzotriazol-2-yl)phenoxy]propanoic acid
CID 127034829
4-[5-(Trifluoromethyl)benzotriazol-2-yl]phenol
CID 127035087
(E)-3-(4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]prop-2-enenitrile
CID 56664993
5-[(2-methylphenoxy)methyl]-2H-benzotriazole
CID 86290989
4-[1-Oxido-6-(trifluoromethyl)benzotriazol-1-ium-2-yl]phenol
CID 127035089
2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole
CID 127035403
2-(2'-Methoxy-phenyl)-benztriazole
CID 12691726

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole (CID 127035090) is 2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole is COc1ccc(-n2nc3ccc(C(F)(F)F)cc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole?
The InChIKey is ZDMCQEJYDFICFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-21-11-5-3-10(4-6-11)20-18-12-7-2-9(14(15,16)17)8-13(12)19-20/h2-8H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole?
2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole has a molecular weight of 293.25 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 127035090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).