5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole

C14H11FN2O2 — CID 86004373

IUPAC5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole
SMILESFCCOc1cccc(-c2ccc3nonc3c2)c1
InChIInChI=1S/C14H11FN2O2/c15-6-7-18-12-3-1-2-10(8-12)11-4-5-13-14(9-11)17-19-16-13/h1-5,8-9H,6-7H2
InChIKeyHNJXMSSVNGDYAE-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.24
Rot. Bonds4

About 5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole

5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole (PubChem CID 86004373) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole
PubChem CID86004373
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole
SMILESFCCOc1cccc(-c2ccc3nonc3c2)c1
InChIInChI=1S/C14H11FN2O2/c15-6-7-18-12-3-1-2-10(8-12)11-4-5-13-14(9-11)17-19-16-13/h1-5,8-9H,6-7H2
InChIKeyHNJXMSSVNGDYAE-UHFFFAOYSA-N
XLogP3.24
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole (CID 86004373) is 5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole is FCCOc1cccc(-c2ccc3nonc3c2)c1.
What is the InChIKey of 5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole?
The InChIKey is HNJXMSSVNGDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-6-7-18-12-3-1-2-10(8-12)11-4-5-13-14(9-11)17-19-16-13/h1-5,8-9H,6-7H2.
What are the key properties of 5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole?
5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole has a molecular weight of 258.25 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluoroethoxy)phenyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 86004373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).