methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate

C10H15F2NO2 — CID 125425406

IUPACmethyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate
SMILESCOC(=O)[C@@H]1NC[C@@]12CCCC(F)(F)C2
InChIInChI=1S/C10H15F2NO2/c1-15-8(14)7-9(6-13-7)3-2-4-10(11,12)5-9/h7,13H,2-6H2,1H3/t7-,9-/m0/s1
InChIKeyFLCZHGYBQKBNDD-CBAPKCEASA-N
MW219.23 g/mol
LogP1.33
Rot. Bonds1

About methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate

methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate (PubChem CID 125425406) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate
PubChem CID125425406
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Namemethyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate
SMILESCOC(=O)[C@@H]1NC[C@@]12CCCC(F)(F)C2
InChIInChI=1S/C10H15F2NO2/c1-15-8(14)7-9(6-13-7)3-2-4-10(11,12)5-9/h7,13H,2-6H2,1H3/t7-,9-/m0/s1
InChIKeyFLCZHGYBQKBNDD-CBAPKCEASA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate
CID 125425441
methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate
CID 125426547
methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 126791141
methyl (3R,4R,7S)-7-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
CID 125426250
methyl (3R,6R)-2,2-dichloro-5-azaspiro[2.3]hexane-6-carboxylate
CID 125425914
tert-butyl 2-azaspiro[3.4]octane-3-carboxylate;hydrochloride
CID 146049305
methyl 6-azaspiro[3.4]octane-8-carboxylate
CID 86811534
methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate
CID 167518203
methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
CID 129381539
methyl 3,3-dimethylpyrrolidine-2-carboxylate
CID 75088961
methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate
CID 125425350
methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
CID 125426381

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate?
The IUPAC name of methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate (CID 125425406) is methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate.
What is the SMILES notation for methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate?
The canonical SMILES for methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate is COC(=O)[C@@H]1NC[C@@]12CCCC(F)(F)C2.
What is the InChIKey of methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate?
The InChIKey is FLCZHGYBQKBNDD-CBAPKCEASA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-15-8(14)7-9(6-13-7)3-2-4-10(11,12)5-9/h7,13H,2-6H2,1H3/t7-,9-/m0/s1.
What are the key properties of methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate?
methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate has a molecular weight of 219.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate is sourced from PubChem (CID 125425406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).