(5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone

C13H8FN3O2 — CID 11065065

IUPAC(5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)n1nnc2cc(F)ccc21
InChIInChI=1S/C13H8FN3O2/c14-8-5-6-11-10(7-8)15-16-17(11)13(19)9-3-1-2-4-12(9)18/h1-7,18H
InChIKeyGJBRCVUHINUWON-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.96
Rot. Bonds1

About (5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone

(5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 11065065) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is (5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID11065065
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name(5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)n1nnc2cc(F)ccc21
InChIInChI=1S/C13H8FN3O2/c14-8-5-6-11-10(7-8)15-16-17(11)13(19)9-3-1-2-4-12(9)18/h1-7,18H
InChIKeyGJBRCVUHINUWON-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.96
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
(2-Hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone
CID 11109578
(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
[5-[2-(Benzotriazol-1-yl)ethyl]tetrazol-2-yl]-(2-hydroxyphenyl)methanone
CID 16076174
Benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone
CID 771947

Frequently Asked Questions

What is the IUPAC name of (5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone (CID 11065065) is (5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)n1nnc2cc(F)ccc21.
What is the InChIKey of (5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is GJBRCVUHINUWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-8-5-6-11-10(7-8)15-16-17(11)13(19)9-3-1-2-4-12(9)18/h1-7,18H.
What are the key properties of (5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone?
(5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 257.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 11065065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).