3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid

C8H12F2N2O2 — CID 142739209

IUPAC3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid
SMILESO=C(O)N1CC(F)(F)C12CCCNC2
InChIInChI=1S/C8H12F2N2O2/c9-8(10)5-12(6(13)14)7(8)2-1-3-11-4-7/h11H,1-5H2,(H,13,14)
InChIKeyMDXKXEBDVALACQ-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.74
Rot. Bonds

About 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid

3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid (PubChem CID 142739209) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid
PubChem CID142739209
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid
SMILESO=C(O)N1CC(F)(F)C12CCCNC2
InChIInChI=1S/C8H12F2N2O2/c9-8(10)5-12(6(13)14)7(8)2-1-3-11-4-7/h11H,1-5H2,(H,13,14)
InChIKeyMDXKXEBDVALACQ-UHFFFAOYSA-N
XLogP0.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid?
The IUPAC name of 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid (CID 142739209) is 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid?
The canonical SMILES for 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid is O=C(O)N1CC(F)(F)C12CCCNC2.
What is the InChIKey of 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid?
The InChIKey is MDXKXEBDVALACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c9-8(10)5-12(6(13)14)7(8)2-1-3-11-4-7/h11H,1-5H2,(H,13,14).
What are the key properties of 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid?
3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid has a molecular weight of 206.19 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid is sourced from PubChem (CID 142739209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).