methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate

C10H15F2NO2 — CID 167518203

IUPACmethyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate
SMILESCOC(=O)[C@@H]1CC2(CCN1)CC(F)(F)C2
InChIInChI=1S/C10H15F2NO2/c1-15-8(14)7-4-9(2-3-13-7)5-10(11,12)6-9/h7,13H,2-6H2,1H3/t7-/m0/s1
InChIKeyUMQKPTBLWVHYSM-ZETCQYMHSA-N
MW219.23 g/mol
LogP1.33
Rot. Bonds1

About methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate

methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate (PubChem CID 167518203) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate
PubChem CID167518203
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Namemethyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate
SMILESCOC(=O)[C@@H]1CC2(CCN1)CC(F)(F)C2
InChIInChI=1S/C10H15F2NO2/c1-15-8(14)7-4-9(2-3-13-7)5-10(11,12)6-9/h7,13H,2-6H2,1H3/t7-/m0/s1
InChIKeyUMQKPTBLWVHYSM-ZETCQYMHSA-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

Analyze methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride
CID 67791330
methyl 5-azaspiro[2.4]heptane-6-carboxylate
CID 77471720
methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride
CID 170975594
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 1,4-diazepane-2-carboxylate
CID 45358161
methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate
CID 125425406
methyl (2S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 68686544
methyl 1-azaspiro[3.4]octane-2-carboxylate
CID 167715027
methyl 3,3-dimethylpyrrolidine-2-carboxylate
CID 75088961
methyl 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)-5-(2-methoxyethylamino)-2-methylbenzoate
CID 176939586
methyl (2S)-1-acetyl-4,4-difluoropyrrolidine-2-carboxylate;methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate
CID 159728416

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate?
The IUPAC name of methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate (CID 167518203) is methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate.
What is the SMILES notation for methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate?
The canonical SMILES for methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate is COC(=O)[C@@H]1CC2(CCN1)CC(F)(F)C2.
What is the InChIKey of methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate?
The InChIKey is UMQKPTBLWVHYSM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-15-8(14)7-4-9(2-3-13-7)5-10(11,12)6-9/h7,13H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate?
methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-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 (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate is sourced from PubChem (CID 167518203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).