2-(5-fluoroindazol-1-yl)ethyl acetate

C11H11FN2O2 — CID 151811736

IUPAC2-(5-fluoroindazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1ncc2cc(F)ccc21
InChIInChI=1S/C11H11FN2O2/c1-8(15)16-5-4-14-11-3-2-10(12)6-9(11)7-13-14/h2-3,6-7H,4-5H2,1H3
InChIKeySATHCDLQFFBPMJ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.74
Rot. Bonds3

About 2-(5-fluoroindazol-1-yl)ethyl acetate

2-(5-fluoroindazol-1-yl)ethyl acetate (PubChem CID 151811736) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(5-fluoroindazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5-fluoroindazol-1-yl)ethyl acetate
PubChem CID151811736
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-(5-fluoroindazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1ncc2cc(F)ccc21
InChIInChI=1S/C11H11FN2O2/c1-8(15)16-5-4-14-11-3-2-10(12)6-9(11)7-13-14/h2-3,6-7H,4-5H2,1H3
InChIKeySATHCDLQFFBPMJ-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoroindazol-1-yl)ethyl acetate?
The IUPAC name of 2-(5-fluoroindazol-1-yl)ethyl acetate (CID 151811736) is 2-(5-fluoroindazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(5-fluoroindazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(5-fluoroindazol-1-yl)ethyl acetate is CC(=O)OCCn1ncc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoroindazol-1-yl)ethyl acetate?
The InChIKey is SATHCDLQFFBPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-8(15)16-5-4-14-11-3-2-10(12)6-9(11)7-13-14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-(5-fluoroindazol-1-yl)ethyl acetate?
2-(5-fluoroindazol-1-yl)ethyl acetate has a molecular weight of 222.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroindazol-1-yl)ethyl acetate is sourced from PubChem (CID 151811736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).