2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole

C16H10FN3O — CID 168526484

IUPAC2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole
SMILESFc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C16H10FN3O/c17-12-4-6-13(7-5-12)20-18-14-8-3-11(10-15(14)19-20)16-2-1-9-21-16/h1-10H
InChIKeyOXKYSTDEXPZXGH-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.82
Rot. Bonds2

About 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole

2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole (PubChem CID 168526484) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole
PubChem CID168526484
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole
SMILESFc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C16H10FN3O/c17-12-4-6-13(7-5-12)20-18-14-8-3-11(10-15(14)19-20)16-2-1-9-21-16/h1-10H
InChIKeyOXKYSTDEXPZXGH-UHFFFAOYSA-N
XLogP3.82
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole 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

2-(2,1,3-Benzothiadiazol-5-yl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 2815748
2-(2,1,3-Benzothiadiazol-5-yl)-4-(3-fluoro-4-propan-2-yloxyphenyl)-3-(furan-2-ylmethyl)-4-oxobut-2-enoic acid
CID 56974396
2-(2,1,3-Benzothiadiazol-5-yl)-4-[4-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)-4-oxobut-2-enoic acid
CID 57044756
2-(2,1,3-Benzothiadiazol-5-yl)-4-(3-fluoro-4-propoxyphenyl)-3-(furan-2-ylmethyl)-4-oxobut-2-enoic acid
CID 57230232
2-(2,1,3-Benzothiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)-3-(furan-2-ylmethyl)-4-oxobut-2-enoic acid
CID 57270617
2-(Furan-2-yl)-5-(trifluoromethyl)benzotriazole
CID 68360171
2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
CID 68664428
1-(2-Fluorophenoxy)-3-(furan-3-yl)indazole
CID 154457199
Benzotriazolylmethylfuran
CID 129781672
3-Benzotriazolyl-4-benzoyl-2-phenylfuran
CID 129859999
Methyl 3-[2-(4-fluorophenoxy)ethoxy]benzotriazole-5-carboxylate
CID 7706201
Methyl 3-[(3-fluoro-4-methoxyphenyl)methoxy]benzotriazole-5-carboxylate
CID 7706226

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole (CID 168526484) is 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole is Fc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole?
The InChIKey is OXKYSTDEXPZXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-12-4-6-13(7-5-12)20-18-14-8-3-11(10-15(14)19-20)16-2-1-9-21-16/h1-10H.
What are the key properties of 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole?
2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole has a molecular weight of 279.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(furan-2-yl)benzotriazole is sourced from PubChem (CID 168526484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).