tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate

C13H11F13O4 — CID 20802386

IUPACtert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H11F13O4/c1-5(14)9(16,17)30-10(18,12(22,23)24)13(25,26)29-8(15,11(19,20)21)6(27)28-7(2,3)4/h1H2,2-4H3
InChIKeyMINGZDMHCLCFJT-UHFFFAOYSA-N
MW478.20 g/mol
LogP5.49
Rot. Bonds7

About tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate

tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate (PubChem CID 20802386) has the molecular formula C13H11F13O4 and a molecular weight of 478.20 g/mol. Its IUPAC name is tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate
PubChem CID20802386
Molecular FormulaC13H11F13O4
Molecular Weight478.20 g/mol
Exact Mass478.04
IUPAC Nametert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H11F13O4/c1-5(14)9(16,17)30-10(18,12(22,23)24)13(25,26)29-8(15,11(19,20)21)6(27)28-7(2,3)4/h1H2,2-4H3
InChIKeyMINGZDMHCLCFJT-UHFFFAOYSA-N
XLogP5.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.20
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 3,3,3-trifluoro-2-(2-methylprop-2-enoyloxy)-2-(trifluoromethyl)propanoate
CID 20615533
Tert-butyl 3,3,3-trifluoro-2-prop-2-enoyloxy-2-(trifluoromethyl)propanoate
CID 20615534
Ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate
CID 20802368
Methyl 3,3,3-trifluoro-2-(2-methylprop-2-enoyloxy)-2-(trifluoromethyl)propanoate
CID 53251464
Methyl 3,3,3-trifluoro-2-prop-2-enoyloxy-2-(trifluoromethyl)propanoate
CID 53251465
Methyl 3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propanoate
CID 53251466
2-Methylpropyl 3,3,3-trifluoro-2-(2-methylprop-2-enoyloxy)-2-(trifluoromethyl)propanoate
CID 53251467
Methyl 3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-(trifluoromethyl)propanoate
CID 53251617
[1-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxy-2-methyl-1-oxopropan-2-yl] 2,3-dimethylbut-2-enoate
CID 57811096
1,1,1,3,3,3-Hexafluoropropan-2-yl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
CID 58013554
2,2,3,3,3-Pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
CID 58013559
[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate
CID 58975622

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate?
The IUPAC name of tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate (CID 20802386) is tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate.
What is the SMILES notation for tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate?
The canonical SMILES for tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)OC(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate?
The InChIKey is MINGZDMHCLCFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F13O4/c1-5(14)9(16,17)30-10(18,12(22,23)24)13(25,26)29-8(15,11(19,20)21)6(27)28-7(2,3)4/h1H2,2-4H3.
What are the key properties of tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate?
tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate has a molecular weight of 478.20 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate is sourced from PubChem (CID 20802386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).