decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate

C16H26F5NO3 — CID 91735326

IUPACdecyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate
SMILESCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H26F5NO3/c1-2-3-4-5-6-7-8-9-12-25-13(23)10-11-22-14(24)15(17,18)16(19,20)21/h2-12H2,1H3,(H,22,24)
InChIKeyWYJGCVHNNHDVBT-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.37
Rot. Bonds13

About decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate

decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate (PubChem CID 91735326) has the molecular formula C16H26F5NO3 and a molecular weight of 375.38 g/mol. Its IUPAC name is decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate.

Molecular Properties

Compound Namedecyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate
PubChem CID91735326
Molecular FormulaC16H26F5NO3
Molecular Weight375.38 g/mol
Exact Mass375.18
IUPAC Namedecyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate
SMILESCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H26F5NO3/c1-2-3-4-5-6-7-8-9-12-25-13(23)10-11-22-14(24)15(17,18)16(19,20)21/h2-12H2,1H3,(H,22,24)
InChIKeyWYJGCVHNNHDVBT-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate 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 decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate?
The IUPAC name of decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate (CID 91735326) is decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate.
What is the SMILES notation for decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate?
The canonical SMILES for decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate is CCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate?
The InChIKey is WYJGCVHNNHDVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F5NO3/c1-2-3-4-5-6-7-8-9-12-25-13(23)10-11-22-14(24)15(17,18)16(19,20)21/h2-12H2,1H3,(H,22,24).
What are the key properties of decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate?
decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate has a molecular weight of 375.38 g/mol, XLogP of 4.37, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate is sourced from PubChem (CID 91735326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).