4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole

C18H16FN3O — CID 162657527

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole
SMILESFc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C18H16FN3O/c19-17-6-1-2-7-18(17)22-11-15(20-21-22)12-23-16-9-8-13-4-3-5-14(13)10-16/h1-2,6-11H,3-5,12H2
InChIKeyFWLGKEBTSDTWLK-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.47
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole (PubChem CID 162657527) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole
PubChem CID162657527
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole
SMILESFc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C18H16FN3O/c19-17-6-1-2-7-18(17)22-11-15(20-21-22)12-23-16-9-8-13-4-3-5-14(13)10-16/h1-2,6-11H,3-5,12H2
InChIKeyFWLGKEBTSDTWLK-UHFFFAOYSA-N
XLogP3.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole (CID 162657527) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole is Fc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole?
The InChIKey is FWLGKEBTSDTWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-17-6-1-2-7-18(17)22-11-15(20-21-22)12-23-16-9-8-13-4-3-5-14(13)10-16/h1-2,6-11H,3-5,12H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole has a molecular weight of 309.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole is sourced from PubChem (CID 162657527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).