3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid

C8H5F10NO2 — CID 19000296

IUPAC3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F10NO2/c9-4(10)5(11,12)7(15,16)19(2-1-3(20)21)8(17,18)6(4,13)14/h1-2H2,(H,20,21)
InChIKeyNHKJCJGUGRUFNF-UHFFFAOYSA-N
MW337.11 g/mol
LogP2.87
Rot. Bonds3

About 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid

3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid (PubChem CID 19000296) has the molecular formula C8H5F10NO2 and a molecular weight of 337.11 g/mol. Its IUPAC name is 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid
PubChem CID19000296
Molecular FormulaC8H5F10NO2
Molecular Weight337.11 g/mol
Exact Mass337.02
IUPAC Name3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F10NO2/c9-4(10)5(11,12)7(15,16)19(2-1-3(20)21)8(17,18)6(4,13)14/h1-2H2,(H,20,21)
InChIKeyNHKJCJGUGRUFNF-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.11
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic 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 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid (CID 19000296) is 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid is O=C(O)CCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid?
The InChIKey is NHKJCJGUGRUFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F10NO2/c9-4(10)5(11,12)7(15,16)19(2-1-3(20)21)8(17,18)6(4,13)14/h1-2H2,(H,20,21).
What are the key properties of 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid?
3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid has a molecular weight of 337.11 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoic acid is sourced from PubChem (CID 19000296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).