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

C9H15ClFNO3 — CID 119032133

IUPACethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride
SMILESCCOC(=O)C1(F)CNCC12COC2.Cl
InChIInChI=1S/C9H14FNO3.ClH/c1-2-14-7(12)9(10)4-11-3-8(9)5-13-6-8;/h11H,2-6H2,1H3;1H
InChIKeySMVNVGQDGFXPKG-UHFFFAOYSA-N
MW239.67 g/mol
LogP0.30
Rot. Bonds2

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

ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride (PubChem CID 119032133) has the molecular formula C9H15ClFNO3 and a molecular weight of 239.67 g/mol. Its IUPAC name is ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride
PubChem CID119032133
Molecular FormulaC9H15ClFNO3
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC Nameethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride
SMILESCCOC(=O)C1(F)CNCC12COC2.Cl
InChIInChI=1S/C9H14FNO3.ClH/c1-2-14-7(12)9(10)4-11-3-8(9)5-13-6-8;/h11H,2-6H2,1H3;1H
InChIKeySMVNVGQDGFXPKG-UHFFFAOYSA-N
XLogP0.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 50.30
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;hydrochloride?
The IUPAC name of ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride (CID 119032133) is ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride is CCOC(=O)C1(F)CNCC12COC2.Cl.
What is the InChIKey of ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride?
The InChIKey is SMVNVGQDGFXPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3.ClH/c1-2-14-7(12)9(10)4-11-3-8(9)5-13-6-8;/h11H,2-6H2,1H3;1H.
What are the key properties of ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride?
ethyl 5-fluoro-2-oxa-7-azaspiro[3.4]octane-5-carboxylate;hydrochloride has a molecular weight of 239.67 g/mol, XLogP of 0.30, 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;hydrochloride is sourced from PubChem (CID 119032133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).