2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate

C14H24F5NO2 — CID 59204096

IUPAC2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate
SMILESCCCCN(CCCC)CCC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H24F5NO2/c1-3-5-8-20(9-6-4-2)10-7-12(21)22-11-13(15,16)14(17,18)19/h3-11H2,1-2H3
InChIKeyINWMUWBGAIITPX-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.02
Rot. Bonds11

About 2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate

2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate (PubChem CID 59204096) has the molecular formula C14H24F5NO2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate
PubChem CID59204096
Molecular FormulaC14H24F5NO2
Molecular Weight333.34 g/mol
Exact Mass333.17
IUPAC Name2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate
SMILESCCCCN(CCCC)CCC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H24F5NO2/c1-3-5-8-20(9-6-4-2)10-7-12(21)22-11-13(15,16)14(17,18)19/h3-11H2,1-2H3
InChIKeyINWMUWBGAIITPX-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate (CID 59204096) is 2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate is CCCCN(CCCC)CCC(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate?
The InChIKey is INWMUWBGAIITPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F5NO2/c1-3-5-8-20(9-6-4-2)10-7-12(21)22-11-13(15,16)14(17,18)19/h3-11H2,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate?
2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate has a molecular weight of 333.34 g/mol, XLogP of 4.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 3-(dibutylamino)propanoate is sourced from PubChem (CID 59204096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).