5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

C8H12F2N2O2 — CID 159512923

IUPAC5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CNC2)C(F)(F)C1
InChIInChI=1S/C8H12F2N2O2/c9-8(10)5-12(6(13)14)2-1-7(8)3-11-4-7/h11H,1-5H2,(H,13,14)
InChIKeyMAVDTMULRCBDSF-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.60
Rot. Bonds

About 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 159512923) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
PubChem CID159512923
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CNC2)C(F)(F)C1
InChIInChI=1S/C8H12F2N2O2/c9-8(10)5-12(6(13)14)2-1-7(8)3-11-4-7/h11H,1-5H2,(H,13,14)
InChIKeyMAVDTMULRCBDSF-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-{2,7-Diazaspiro[3.5]nonan-7-yl}ethan-1-one; trifluoroacetic acid
CID 132353978
Tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 49761221
4-[(2,2,2-Trifluoroethylamino)methyl]piperidine-1-carboxylic acid
CID 66728494
7-(2,2-Difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 126573815
7-Methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 126573828
4-(2-Aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid
CID 131987291
3,3-Difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylic acid
CID 142739209
N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 146586371
5,5-Difluoro-2,7-diazaspiro[3.5]nonane-2-carbaldehyde
CID 146625859
3-Fluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 150941107
2-(2,2,2-Trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 154996281
2-(2,2-Difluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 154996348

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 159512923) is 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CNC2)C(F)(F)C1.
What is the InChIKey of 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is MAVDTMULRCBDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c9-8(10)5-12(6(13)14)2-1-7(8)3-11-4-7/h11H,1-5H2,(H,13,14).
What are the key properties of 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 206.19 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 159512923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).