1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole

C24H20FN3O — CID 169409618

IUPAC1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole
SMILESFc1ccccc1-n1cc(COC2c3ccccc3CCc3ccccc32)nn1
InChIInChI=1S/C24H20FN3O/c25-22-11-5-6-12-23(22)28-15-19(26-27-28)16-29-24-20-9-3-1-7-17(20)13-14-18-8-2-4-10-21(18)24/h1-12,15,24H,13-14,16H2
InChIKeyIIWNTOHGCGICCZ-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.81
Rot. Bonds4

About 1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole

1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole (PubChem CID 169409618) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole
PubChem CID169409618
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole
SMILESFc1ccccc1-n1cc(COC2c3ccccc3CCc3ccccc32)nn1
InChIInChI=1S/C24H20FN3O/c25-22-11-5-6-12-23(22)28-15-19(26-27-28)16-29-24-20-9-3-1-7-17(20)13-14-18-8-2-4-10-21(18)24/h1-12,15,24H,13-14,16H2
InChIKeyIIWNTOHGCGICCZ-UHFFFAOYSA-N
XLogP4.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole?
The IUPAC name of 1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole (CID 169409618) is 1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole?
The canonical SMILES for 1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole is Fc1ccccc1-n1cc(COC2c3ccccc3CCc3ccccc32)nn1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole?
The InChIKey is IIWNTOHGCGICCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c25-22-11-5-6-12-23(22)28-15-19(26-27-28)16-29-24-20-9-3-1-7-17(20)13-14-18-8-2-4-10-21(18)24/h1-12,15,24H,13-14,16H2.
What are the key properties of 1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole?
1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole has a molecular weight of 385.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole is sourced from PubChem (CID 169409618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).