2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid

C10H15F2NO2 — CID 156736162

IUPAC2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid
SMILESCC1CNCCC2(C1)C(C(=O)O)C2(F)F
InChIInChI=1S/C10H15F2NO2/c1-6-4-9(2-3-13-5-6)7(8(14)15)10(9,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyMDQSMUWGQPLOPO-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.34
Rot. Bonds1

About 2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid

2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid (PubChem CID 156736162) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid
PubChem CID156736162
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid
SMILESCC1CNCCC2(C1)C(C(=O)O)C2(F)F
InChIInChI=1S/C10H15F2NO2/c1-6-4-9(2-3-13-5-6)7(8(14)15)10(9,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyMDQSMUWGQPLOPO-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid?
The IUPAC name of 2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid (CID 156736162) is 2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid.
What is the SMILES notation for 2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid?
The canonical SMILES for 2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid is CC1CNCCC2(C1)C(C(=O)O)C2(F)F.
What is the InChIKey of 2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid?
The InChIKey is MDQSMUWGQPLOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-6-4-9(2-3-13-5-6)7(8(14)15)10(9,11)12/h6-7,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid?
2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid has a molecular weight of 219.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid is sourced from PubChem (CID 156736162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).