4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid

C10H13F2NO3 — CID 169106218

IUPAC4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CC(F)(F)CC12CC2
InChIInChI=1S/C10H13F2NO3/c11-10(12)5-9(3-4-9)13(6-10)7(14)1-2-8(15)16/h1-6H2,(H,15,16)
InChIKeyDAICAJBVCRDULV-UHFFFAOYSA-N
MW233.21 g/mol
LogP1.25
Rot. Bonds3

About 4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid

4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid (PubChem CID 169106218) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is 4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid
PubChem CID169106218
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC Name4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CC(F)(F)CC12CC2
InChIInChI=1S/C10H13F2NO3/c11-10(12)5-9(3-4-9)13(6-10)7(14)1-2-8(15)16/h1-6H2,(H,15,16)
InChIKeyDAICAJBVCRDULV-UHFFFAOYSA-N
XLogP1.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid (CID 169106218) is 4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid is O=C(O)CCC(=O)N1CC(F)(F)CC12CC2.
What is the InChIKey of 4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid?
The InChIKey is DAICAJBVCRDULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3/c11-10(12)5-9(3-4-9)13(6-10)7(14)1-2-8(15)16/h1-6H2,(H,15,16).
What are the key properties of 4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid?
4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid has a molecular weight of 233.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-difluoro-4-azaspiro[2.4]heptan-4-yl)-4-oxobutanoic acid is sourced from PubChem (CID 169106218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).