2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole

C17H12FN3O — CID 168525214

IUPAC2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1-c1ccco1
InChIInChI=1S/C17H12FN3O/c1-11-9-15-16(10-14(11)17-3-2-8-22-17)20-21(19-15)13-6-4-12(18)5-7-13/h2-10H,1H3
InChIKeyNOWYIVWFRYHNED-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.13
Rot. Bonds2

About 2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole

2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole (PubChem CID 168525214) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole
PubChem CID168525214
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1-c1ccco1
InChIInChI=1S/C17H12FN3O/c1-11-9-15-16(10-14(11)17-3-2-8-22-17)20-21(19-15)13-6-4-12(18)5-7-13/h2-10H,1H3
InChIKeyNOWYIVWFRYHNED-UHFFFAOYSA-N
XLogP4.13
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole (CID 168525214) is 2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole is Cc1cc2nn(-c3ccc(F)cc3)nc2cc1-c1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The InChIKey is NOWYIVWFRYHNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c1-11-9-15-16(10-14(11)17-3-2-8-22-17)20-21(19-15)13-6-4-12(18)5-7-13/h2-10H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
2-(4-fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole has a molecular weight of 293.30 g/mol, XLogP of 4.13, 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)-6-methylbenzotriazole is sourced from PubChem (CID 168525214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).