2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine

C9H9FN2O2 — CID 84666661

IUPAC2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine
SMILESNCCOc1noc2c(F)cccc12
InChIInChI=1S/C9H9FN2O2/c10-7-3-1-2-6-8(7)14-12-9(6)13-5-4-11/h1-3H,4-5,11H2
InChIKeyACAILHHJOJMQSQ-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.30
Rot. Bonds3

About 2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine

2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine (PubChem CID 84666661) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine
PubChem CID84666661
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine
SMILESNCCOc1noc2c(F)cccc12
InChIInChI=1S/C9H9FN2O2/c10-7-3-1-2-6-8(7)14-12-9(6)13-5-4-11/h1-3H,4-5,11H2
InChIKeyACAILHHJOJMQSQ-UHFFFAOYSA-N
XLogP1.30
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine?
The IUPAC name of 2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine (CID 84666661) is 2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine?
The canonical SMILES for 2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine is NCCOc1noc2c(F)cccc12.
What is the InChIKey of 2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine?
The InChIKey is ACAILHHJOJMQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-7-3-1-2-6-8(7)14-12-9(6)13-5-4-11/h1-3H,4-5,11H2.
What are the key properties of 2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine?
2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine has a molecular weight of 196.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine is sourced from PubChem (CID 84666661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).