2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium

C12H16F11NO3 — CID 71673258

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium
SMILESCC[NH+](CC)CC.O=C([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11O3.C6H15N/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15;1-4-7(5-2)6-3/h(H,18,19);4-6H2,1-3H3
InChIKeyZFLBPRIWFOOYAT-UHFFFAOYSA-N
MW431.24 g/mol
LogP1.70
Rot. Bonds7

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium (PubChem CID 71673258) has the molecular formula C12H16F11NO3 and a molecular weight of 431.24 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium
PubChem CID71673258
Molecular FormulaC12H16F11NO3
Molecular Weight431.24 g/mol
Exact Mass431.10
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium
SMILESCC[NH+](CC)CC.O=C([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11O3.C6H15N/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15;1-4-7(5-2)6-3/h(H,18,19);4-6H2,1-3H3
InChIKeyZFLBPRIWFOOYAT-UHFFFAOYSA-N
XLogP1.70
TPSA53.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
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 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium (CID 71673258) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium is CC[NH+](CC)CC.O=C([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium?
The InChIKey is ZFLBPRIWFOOYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O3.C6H15N/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15;1-4-7(5-2)6-3/h(H,18,19);4-6H2,1-3H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium has a molecular weight of 431.24 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate;triethylazanium is sourced from PubChem (CID 71673258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).