5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate

C11H11F10NO3 — CID 91726850

IUPAC5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(NCCCCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F10NO3/c12-8(13,10(16,17)18)6(23)22-4-2-1-3-5-25-7(24)9(14,15)11(19,20)21/h1-5H2,(H,22,23)
InChIKeyXDWOIGHLCVMKKS-UHFFFAOYSA-N
MW395.19 g/mol
LogP3.21
Rot. Bonds8

About 5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate

5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91726850) has the molecular formula C11H11F10NO3 and a molecular weight of 395.19 g/mol. Its IUPAC name is 5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91726850
Molecular FormulaC11H11F10NO3
Molecular Weight395.19 g/mol
Exact Mass395.06
IUPAC Name5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(NCCCCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F10NO3/c12-8(13,10(16,17)18)6(23)22-4-2-1-3-5-25-7(24)9(14,15)11(19,20)21/h1-5H2,(H,22,23)
InChIKeyXDWOIGHLCVMKKS-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.19
LogP ≤ 53.21
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 5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate (CID 91726850) is 5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate is O=C(NCCCCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is XDWOIGHLCVMKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F10NO3/c12-8(13,10(16,17)18)6(23)22-4-2-1-3-5-25-7(24)9(14,15)11(19,20)21/h1-5H2,(H,22,23).
What are the key properties of 5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate?
5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 395.19 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3,3-pentafluoropropanoylamino)pentyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91726850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).