ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate

C10H15F2NO2 — CID 76757081

IUPACethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate
SMILESCCOC(=O)C1CC2(CN1)CC(F)(F)C2
InChIInChI=1S/C10H15F2NO2/c1-2-15-8(14)7-3-9(6-13-7)4-10(11,12)5-9/h7,13H,2-6H2,1H3
InChIKeyHCXOCMFNPKSBJC-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.33
Rot. Bonds2

About ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate

ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate (PubChem CID 76757081) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate
PubChem CID76757081
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Nameethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate
SMILESCCOC(=O)C1CC2(CN1)CC(F)(F)C2
InChIInChI=1S/C10H15F2NO2/c1-2-15-8(14)7-3-9(6-13-7)4-10(11,12)5-9/h7,13H,2-6H2,1H3
InChIKeyHCXOCMFNPKSBJC-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate?
The IUPAC name of ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate (CID 76757081) is ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate.
What is the SMILES notation for ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate?
The canonical SMILES for ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate is CCOC(=O)C1CC2(CN1)CC(F)(F)C2.
What is the InChIKey of ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate?
The InChIKey is HCXOCMFNPKSBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-2-15-8(14)7-3-9(6-13-7)4-10(11,12)5-9/h7,13H,2-6H2,1H3.
What are the key properties of ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate?
ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate has a molecular weight of 219.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate is sourced from PubChem (CID 76757081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).