2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid

C8H11F2NO2 — CID 77449667

IUPAC2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid
SMILESO=C(O)C1CC2(CN1)CC(F)(F)C2
InChIInChI=1S/C8H11F2NO2/c9-8(10)2-7(3-8)1-5(6(12)13)11-4-7/h5,11H,1-4H2,(H,12,13)
InChIKeyIYVKFBVXKDUJKQ-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.85
Rot. Bonds1

About 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid

2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid (PubChem CID 77449667) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid.

Molecular Properties

Compound Name2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid
PubChem CID77449667
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid
SMILESO=C(O)C1CC2(CN1)CC(F)(F)C2
InChIInChI=1S/C8H11F2NO2/c9-8(10)2-7(3-8)1-5(6(12)13)11-4-7/h5,11H,1-4H2,(H,12,13)
InChIKeyIYVKFBVXKDUJKQ-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid?
The IUPAC name of 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid (CID 77449667) is 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid.
What is the SMILES notation for 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid?
The canonical SMILES for 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid is O=C(O)C1CC2(CN1)CC(F)(F)C2.
What is the InChIKey of 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid?
The InChIKey is IYVKFBVXKDUJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-8(10)2-7(3-8)1-5(6(12)13)11-4-7/h5,11H,1-4H2,(H,12,13).
What are the key properties of 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid?
2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid has a molecular weight of 191.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid is sourced from PubChem (CID 77449667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).