1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone

C14H10FN3O2 — CID 751346

IUPAC1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)n1nnc2ccccc21
InChIInChI=1S/C14H10FN3O2/c15-10-5-1-4-8-13(10)20-9-14(19)18-12-7-3-2-6-11(12)16-17-18/h1-8H,9H2
InChIKeyHKQJUCBYTZOYHA-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.29
Rot. Bonds3

About 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone

1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone (PubChem CID 751346) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone
PubChem CID751346
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)n1nnc2ccccc21
InChIInChI=1S/C14H10FN3O2/c15-10-5-1-4-8-13(10)20-9-14(19)18-12-7-3-2-6-11(12)16-17-18/h1-8H,9H2
InChIKeyHKQJUCBYTZOYHA-UHFFFAOYSA-N
XLogP2.29
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone 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

1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 2321100
1-(benzotriazol-1-yl)-2-(4-methylphenoxy)ethanone
CID 14896987
1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 1202370
1-(benzotriazol-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 58271079
benzotriazol-1-yl-(2-ethoxyphenyl)methanone
CID 3418628
1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide
CID 99965963
benzotriazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954258
1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide
CID 99965961
benzotriazol-1-yl-[4-(2-phenoxyethoxy)phenyl]methanone
CID 4952668
(3S)-3-amino-1-(benzotriazol-1-yl)pentane-1,4-dione
CID 121390098
(3S)-1-(benzotriazol-1-yl)-3-phenylbutan-1-one
CID 40567507
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone (CID 751346) is 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone is O=C(COc1ccccc1F)n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone?
The InChIKey is HKQJUCBYTZOYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-10-5-1-4-8-13(10)20-9-14(19)18-12-7-3-2-6-11(12)16-17-18/h1-8H,9H2.
What are the key properties of 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone?
1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone has a molecular weight of 271.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 751346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).