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

C10H15F2NO2 — CID 58313073

IUPACethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate
SMILESCCOC(=O)[C@@H]1CC2(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/t7-/m0/s1
InChIKeyHCXOCMFNPKSBJC-ZETCQYMHSA-N
MW219.23 g/mol
LogP1.33
Rot. Bonds2

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

ethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate (PubChem CID 58313073) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is ethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate.

Molecular Properties

Compound Nameethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate
PubChem CID58313073
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Nameethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate
SMILESCCOC(=O)[C@@H]1CC2(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/t7-/m0/s1
InChIKeyHCXOCMFNPKSBJC-ZETCQYMHSA-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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Related Compounds

Methyl 6-azaspiro(3.4)octane-7-carboxylate hydrochloride
CID 138039772
ethyl (3S)-2-azaspiro[4.4]nonane-3-carboxylate
CID 129795851
ethyl (3S)-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate
CID 58313096
(7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid
CID 68054823
methyl (2S)-5-tert-butylpyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 69621983
5(r)-Tert-butyl-l-proline methyl ester trifluroacetic acid salt
CID 69621985
Ethyl 2-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxylate
CID 69913285
Ethyl 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate
CID 76757081
Ethyl 8,8-difluoro-2-azaspiro[4.5]decane-3-carboxylate
CID 76757100
2,2-Difluoro-6-azaspiro[3.4]octane-7-carboxylic acid
CID 77449667
(2,2,2-trifluoroacetyl) (2S)-4,4-dimethylpyrrolidine-2-carboxylate
CID 90699239
methyl (2S)-4-butyl-4-fluoropyrrolidine-2-carboxylate
CID 91405582

Frequently Asked Questions

What is the IUPAC name of ethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate?
The IUPAC name of ethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate (CID 58313073) is ethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate.
What is the SMILES notation for ethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate?
The canonical SMILES for ethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate is CCOC(=O)[C@@H]1CC2(CN1)CC(F)(F)C2.
What is the InChIKey of ethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate?
The InChIKey is HCXOCMFNPKSBJC-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of ethyl (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate?
ethyl (7S)-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 (7S)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylate is sourced from PubChem (CID 58313073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).