5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol

C13H11FN4O — CID 142627227

IUPAC5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol
SMILESNc1ccc(-n2nc3cccc(CF)c3n2)c(O)c1
InChIInChI=1S/C13H11FN4O/c14-7-8-2-1-3-10-13(8)17-18(16-10)11-5-4-9(15)6-12(11)19/h1-6,19H,7,15H2
InChIKeyHOYLBDAXFLYECU-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.18
Rot. Bonds2

About 5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol

5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol (PubChem CID 142627227) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol
PubChem CID142627227
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol
SMILESNc1ccc(-n2nc3cccc(CF)c3n2)c(O)c1
InChIInChI=1S/C13H11FN4O/c14-7-8-2-1-3-10-13(8)17-18(16-10)11-5-4-9(15)6-12(11)19/h1-6,19H,7,15H2
InChIKeyHOYLBDAXFLYECU-UHFFFAOYSA-N
XLogP2.18
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Drometrizole
CID 17113
Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-
CID 688251
4-[2-(4-Methylphenyl)hydrazinyl]benzotriazol-5-one
CID 135441716
2-(2H-Benzotriazol-2-yl)-1,4-benzenediol
CID 100816
Phenol, 2-(2H-benzotriazol-2-yl)-4-dodecyl-
CID 76594
7-Methyl-1H-benzo[d][1,2,3]triazol-4-ol
CID 135591014
2-(2H-Benzotriazol-2-yl)-5-methylphenol
CID 614392
2-Amino-6-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenol
CID 617676
2-(2'-Hydroxy-5'-octylphenyl)-benzotriazole
CID 11500765
2-(2'-Hydroxyphenyl)-5-aminobenzotriazole
CID 13000701
2(2-hydroxy-5-vinylphenyl)2H-benzotriazole
CID 14418980
2-(2'-Hydroxy-5'-ethylphenyl)benzotriazole
CID 15399049

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol (CID 142627227) is 5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol is Nc1ccc(-n2nc3cccc(CF)c3n2)c(O)c1.
What is the InChIKey of 5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol?
The InChIKey is HOYLBDAXFLYECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-7-8-2-1-3-10-13(8)17-18(16-10)11-5-4-9(15)6-12(11)19/h1-6,19H,7,15H2.
What are the key properties of 5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol?
5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol has a molecular weight of 258.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[4-(fluoromethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 142627227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).