2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid

C15H19F2N3O2 — CID 118745782

IUPAC2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid
SMILESO=C(O)CN1CCC(F)(F)C2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C15H19F2N3O2/c16-15(17)5-7-19(9-13(21)22)10-14(15)4-8-20(11-14)12-3-1-2-6-18-12/h1-3,6H,4-5,7-11H2,(H,21,22)
InChIKeyQTFMLTYSMCYPHH-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.70
Rot. Bonds3

About 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid

2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid (PubChem CID 118745782) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid.

Molecular Properties

Compound Name2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid
PubChem CID118745782
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid
SMILESO=C(O)CN1CCC(F)(F)C2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C15H19F2N3O2/c16-15(17)5-7-19(9-13(21)22)10-14(15)4-8-20(11-14)12-3-1-2-6-18-12/h1-3,6H,4-5,7-11H2,(H,21,22)
InChIKeyQTFMLTYSMCYPHH-UHFFFAOYSA-N
XLogP1.70
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid?
The IUPAC name of 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid (CID 118745782) is 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid.
What is the SMILES notation for 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid?
The canonical SMILES for 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid is O=C(O)CN1CCC(F)(F)C2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid?
The InChIKey is QTFMLTYSMCYPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-15(17)5-7-19(9-13(21)22)10-14(15)4-8-20(11-14)12-3-1-2-6-18-12/h1-3,6H,4-5,7-11H2,(H,21,22).
What are the key properties of 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid?
2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid has a molecular weight of 311.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluoro-2-pyridin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid is sourced from PubChem (CID 118745782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).