(2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone

C14H8F3N3O2 — CID 11109578

IUPAC(2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone
SMILESO=C(c1ccccc1O)n1nnc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)8-5-6-11-10(7-8)18-19-20(11)13(22)9-3-1-2-4-12(9)21/h1-7,21H
InChIKeySQRORWZBFWRVKA-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.84
Rot. Bonds1

About (2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone

(2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone (PubChem CID 11109578) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone
PubChem CID11109578
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name(2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone
SMILESO=C(c1ccccc1O)n1nnc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)8-5-6-11-10(7-8)18-19-20(11)13(22)9-3-1-2-4-12(9)21/h1-7,21H
InChIKeySQRORWZBFWRVKA-UHFFFAOYSA-N
XLogP2.84
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzotriazol-1-yl-(3,5-dihydroxyphenyl)methanone
CID 51041823
Benzotriazol-1-yl-(4-hydroxyphenyl)methanone
CID 3708210
(2-Hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
CID 10243969
1-(2-methoxybenzoyl)-1H-1,2,3-benzotriazole
CID 898930
2-(1H-1,2,3-Benzotriazole-1-carbonyl)phenol
CID 11042812
(5-Chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 10967695
(5-Fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 11065065
(2-Hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone
CID 11782023
2-(Benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155520978
2-(5,6-Dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155564904
(E)-3-[4-(benzotriazol-1-yl)phenyl]-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
CID 139217777
(E)-3-[4-(benzotriazol-1-yl)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 139217770

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone (CID 11109578) is (2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone is O=C(c1ccccc1O)n1nnc2cc(C(F)(F)F)ccc21.
What is the InChIKey of (2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone?
The InChIKey is SQRORWZBFWRVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)8-5-6-11-10(7-8)18-19-20(11)13(22)9-3-1-2-4-12(9)21/h1-7,21H.
What are the key properties of (2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone?
(2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone has a molecular weight of 307.23 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone is sourced from PubChem (CID 11109578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).