ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate

C9H14FNO3 — CID 119032134

IUPACethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate
SMILESCCOC(=O)C1(F)CNCC12COC2
InChIInChI=1S/C9H14FNO3/c1-2-14-7(12)9(10)4-11-3-8(9)5-13-6-8/h11H,2-6H2,1H3
InChIKeyMHZSLMPGYBWUSE-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.12
Rot. Bonds2

About ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate

ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate (PubChem CID 119032134) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate
PubChem CID119032134
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Nameethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate
SMILESCCOC(=O)C1(F)CNCC12COC2
InChIInChI=1S/C9H14FNO3/c1-2-14-7(12)9(10)4-11-3-8(9)5-13-6-8/h11H,2-6H2,1H3
InChIKeyMHZSLMPGYBWUSE-UHFFFAOYSA-N
XLogP-0.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate?
The IUPAC name of ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate (CID 119032134) is ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate is CCOC(=O)C1(F)CNCC12COC2.
What is the InChIKey of ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate?
The InChIKey is MHZSLMPGYBWUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3/c1-2-14-7(12)9(10)4-11-3-8(9)5-13-6-8/h11H,2-6H2,1H3.
What are the key properties of ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate?
ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate has a molecular weight of 203.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 119032134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).