ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate

C18H20FNO6 — CID 66797670

IUPACethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2ccccc2F)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C18H20FNO6/c1-3-24-17(22)25-15-14(12-6-4-5-7-13(12)19)16(21)26-18(15)8-10-20(23-2)11-9-18/h4-7H,3,8-11H2,1-2H3
InChIKeyKAYHSAGVBKZYNI-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.66
Rot. Bonds4

About ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate

ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (PubChem CID 66797670) has the molecular formula C18H20FNO6 and a molecular weight of 365.36 g/mol. Its IUPAC name is ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.

Molecular Properties

Compound Nameethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
PubChem CID66797670
Molecular FormulaC18H20FNO6
Molecular Weight365.36 g/mol
Exact Mass365.13
IUPAC Nameethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2ccccc2F)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C18H20FNO6/c1-3-24-17(22)25-15-14(12-6-4-5-7-13(12)19)16(21)26-18(15)8-10-20(23-2)11-9-18/h4-7H,3,8-11H2,1-2H3
InChIKeyKAYHSAGVBKZYNI-UHFFFAOYSA-N
XLogP2.66
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The IUPAC name of ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (CID 66797670) is ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.
What is the SMILES notation for ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The canonical SMILES for ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is CCOC(=O)OC1=C(c2ccccc2F)C(=O)OC12CCN(OC)CC2.
What is the InChIKey of ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The InChIKey is KAYHSAGVBKZYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO6/c1-3-24-17(22)25-15-14(12-6-4-5-7-13(12)19)16(21)26-18(15)8-10-20(23-2)11-9-18/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate has a molecular weight of 365.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is sourced from PubChem (CID 66797670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).