ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate

C15H12FNO3 — CID 164736922

IUPACethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate
SMILESCCOC(=O)Cc1noc2ccc3cc(F)ccc3c12
InChIInChI=1S/C15H12FNO3/c1-2-19-14(18)8-12-15-11-5-4-10(16)7-9(11)3-6-13(15)20-17-12/h3-7H,2,8H2,1H3
InChIKeyXNRJCLFUQQFTSK-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.23
Rot. Bonds3

About ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate

ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate (PubChem CID 164736922) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate
PubChem CID164736922
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Nameethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate
SMILESCCOC(=O)Cc1noc2ccc3cc(F)ccc3c12
InChIInChI=1S/C15H12FNO3/c1-2-19-14(18)8-12-15-11-5-4-10(16)7-9(11)3-6-13(15)20-17-12/h3-7H,2,8H2,1H3
InChIKeyXNRJCLFUQQFTSK-UHFFFAOYSA-N
XLogP3.23
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate?
The IUPAC name of ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate (CID 164736922) is ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate is CCOC(=O)Cc1noc2ccc3cc(F)ccc3c12.
What is the InChIKey of ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate?
The InChIKey is XNRJCLFUQQFTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-2-19-14(18)8-12-15-11-5-4-10(16)7-9(11)3-6-13(15)20-17-12/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate?
ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate has a molecular weight of 273.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate is sourced from PubChem (CID 164736922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).