2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate

C17H25F10NO2 — CID 59012995

IUPAC2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate
SMILESCCCCN(CCCC)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C17H25F10NO2/c1-3-5-8-28(9-6-4-2)10-7-12(29)30-11-14(20,21)16(24,25)17(26,27)15(22,23)13(18)19/h13H,3-11H2,1-2H3
InChIKeyFHUKNVXICUSUOU-UHFFFAOYSA-N
MW465.37 g/mol
LogP5.63
Rot. Bonds15

About 2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate

2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate (PubChem CID 59012995) has the molecular formula C17H25F10NO2 and a molecular weight of 465.37 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate
PubChem CID59012995
Molecular FormulaC17H25F10NO2
Molecular Weight465.37 g/mol
Exact Mass465.17
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate
SMILESCCCCN(CCCC)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C17H25F10NO2/c1-3-5-8-28(9-6-4-2)10-7-12(29)30-11-14(20,21)16(24,25)17(26,27)15(22,23)13(18)19/h13H,3-11H2,1-2H3
InChIKeyFHUKNVXICUSUOU-UHFFFAOYSA-N
XLogP5.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.37
LogP ≤ 55.63
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 2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate (CID 59012995) is 2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate is CCCCN(CCCC)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate?
The InChIKey is FHUKNVXICUSUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F10NO2/c1-3-5-8-28(9-6-4-2)10-7-12(29)30-11-14(20,21)16(24,25)17(26,27)15(22,23)13(18)19/h13H,3-11H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate?
2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate has a molecular weight of 465.37 g/mol, XLogP of 5.63, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluorohexyl 3-(dibutylamino)propanoate is sourced from PubChem (CID 59012995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).