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

C15H24F5NO3 — CID 91735325

IUPACnonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate
SMILESCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H24F5NO3/c1-2-3-4-5-6-7-8-11-24-12(22)9-10-21-13(23)14(16,17)15(18,19)20/h2-11H2,1H3,(H,21,23)
InChIKeyBLFGOOAXXPPXMS-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.98
Rot. Bonds12

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

nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate (PubChem CID 91735325) has the molecular formula C15H24F5NO3 and a molecular weight of 361.35 g/mol. Its IUPAC name is nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate.

Molecular Properties

Compound Namenonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate
PubChem CID91735325
Molecular FormulaC15H24F5NO3
Molecular Weight361.35 g/mol
Exact Mass361.17
IUPAC Namenonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate
SMILESCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H24F5NO3/c1-2-3-4-5-6-7-8-11-24-12(22)9-10-21-13(23)14(16,17)15(18,19)20/h2-11H2,1H3,(H,21,23)
InChIKeyBLFGOOAXXPPXMS-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.98
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'}

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Frequently Asked Questions

What is the IUPAC name of nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate?
The IUPAC name of nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate (CID 91735325) is nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate.
What is the SMILES notation for nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate?
The canonical SMILES for nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate is CCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate?
The InChIKey is BLFGOOAXXPPXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F5NO3/c1-2-3-4-5-6-7-8-11-24-12(22)9-10-21-13(23)14(16,17)15(18,19)20/h2-11H2,1H3,(H,21,23).
What are the key properties of nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate?
nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate has a molecular weight of 361.35 g/mol, XLogP of 3.98, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 3-(2,2,3,3,3-pentafluoropropanoylamino)propanoate is sourced from PubChem (CID 91735325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).