2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid

C9H14FNO2 — CID 163580304

IUPAC2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCCC2)CN1F
InChIInChI=1S/C9H14FNO2/c10-11-6-9(3-1-2-4-9)5-7(11)8(12)13/h7H,1-6H2,(H,12,13)
InChIKeyGGZQZMSCGMMKDD-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.59
Rot. Bonds1

About 2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid

2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid (PubChem CID 163580304) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid
PubChem CID163580304
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCCC2)CN1F
InChIInChI=1S/C9H14FNO2/c10-11-6-9(3-1-2-4-9)5-7(11)8(12)13/h7H,1-6H2,(H,12,13)
InChIKeyGGZQZMSCGMMKDD-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid?
The IUPAC name of 2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid (CID 163580304) is 2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid.
What is the SMILES notation for 2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid?
The canonical SMILES for 2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid is O=C(O)C1CC2(CCCC2)CN1F.
What is the InChIKey of 2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid?
The InChIKey is GGZQZMSCGMMKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c10-11-6-9(3-1-2-4-9)5-7(11)8(12)13/h7H,1-6H2,(H,12,13).
What are the key properties of 2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid?
2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid has a molecular weight of 187.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid is sourced from PubChem (CID 163580304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).