(7-fluoroindazol-1-yl) butanoate

C11H11FN2O2 — CID 123337929

IUPAC(7-fluoroindazol-1-yl) butanoate
SMILESCCCC(=O)On1ncc2cccc(F)c21
InChIInChI=1S/C11H11FN2O2/c1-2-4-10(15)16-14-11-8(7-13-14)5-3-6-9(11)12/h3,5-7H,2,4H2,1H3
InChIKeyFJWYKACIYOCFCI-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.93
Rot. Bonds3

About (7-fluoroindazol-1-yl) butanoate

(7-fluoroindazol-1-yl) butanoate (PubChem CID 123337929) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is (7-fluoroindazol-1-yl) butanoate.

Molecular Properties

Compound Name(7-fluoroindazol-1-yl) butanoate
PubChem CID123337929
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name(7-fluoroindazol-1-yl) butanoate
SMILESCCCC(=O)On1ncc2cccc(F)c21
InChIInChI=1S/C11H11FN2O2/c1-2-4-10(15)16-14-11-8(7-13-14)5-3-6-9(11)12/h3,5-7H,2,4H2,1H3
InChIKeyFJWYKACIYOCFCI-UHFFFAOYSA-N
XLogP1.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-fluoroindazol-1-yl) butanoate?
The IUPAC name of (7-fluoroindazol-1-yl) butanoate (CID 123337929) is (7-fluoroindazol-1-yl) butanoate.
What is the SMILES notation for (7-fluoroindazol-1-yl) butanoate?
The canonical SMILES for (7-fluoroindazol-1-yl) butanoate is CCCC(=O)On1ncc2cccc(F)c21.
What is the InChIKey of (7-fluoroindazol-1-yl) butanoate?
The InChIKey is FJWYKACIYOCFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-2-4-10(15)16-14-11-8(7-13-14)5-3-6-9(11)12/h3,5-7H,2,4H2,1H3.
What are the key properties of (7-fluoroindazol-1-yl) butanoate?
(7-fluoroindazol-1-yl) butanoate has a molecular weight of 222.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoroindazol-1-yl) butanoate is sourced from PubChem (CID 123337929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).