methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate

C7H3F11O4 — CID 11739882

IUPACmethyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate
SMILESCOC(=O)C(F)(OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F11O4/c1-20-2(19)3(8,4(9,10)11)21-5(12,13)6(14,15)22-7(16,17)18/h1H3
InChIKeyYHCQGNKRUPRZMV-UHFFFAOYSA-N
MW360.08 g/mol
LogP3.13
Rot. Bonds5

About methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate

methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate (PubChem CID 11739882) has the molecular formula C7H3F11O4 and a molecular weight of 360.08 g/mol. Its IUPAC name is methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate.

Molecular Properties

Compound Namemethyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate
PubChem CID11739882
Molecular FormulaC7H3F11O4
Molecular Weight360.08 g/mol
Exact Mass359.99
IUPAC Namemethyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate
SMILESCOC(=O)C(F)(OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F11O4/c1-20-2(19)3(8,4(9,10)11)21-5(12,13)6(14,15)22-7(16,17)18/h1H3
InChIKeyYHCQGNKRUPRZMV-UHFFFAOYSA-N
XLogP3.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoate
CID 124762467
[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate
CID 129405214
[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 11548624
4-[dimethyl-[3-[[2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoyl]amino]propyl]azaniumyl]butyl-dimethyl-[3-[[2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoyl]amino]propyl]azanium dibromide
CID 154637767
methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,4,4-heptafluoro-4-imidazol-1-ylbutoxy)propanoate
CID 87421745
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate
CID 122438608
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
CID 87119578
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide
CID 162854102
methyl 2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 13024469
(3,5-dimethylphenyl) 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 71672248
3,3-dimethylbutan-2-yl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 71673102
(2S,6R)-1,1,1,2,6,7,7,7-octafluoro-2,6-bis(1,1,2,2,3,3,3-heptafluoropropoxy)heptane-3,5-dione
CID 99650140

Frequently Asked Questions

What is the IUPAC name of methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate?
The IUPAC name of methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate (CID 11739882) is methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate.
What is the SMILES notation for methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate?
The canonical SMILES for methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate is COC(=O)C(F)(OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F.
What is the InChIKey of methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate?
The InChIKey is YHCQGNKRUPRZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O4/c1-20-2(19)3(8,4(9,10)11)21-5(12,13)6(14,15)22-7(16,17)18/h1H3.
What are the key properties of methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate?
methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate has a molecular weight of 360.08 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate is sourced from PubChem (CID 11739882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).