methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate

C6H3F9O4 — CID 2769357

IUPACmethyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate
SMILESCOC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6H3F9O4/c1-17-2(16)3(7,8)18-4(9,10)5(11,12)19-6(13,14)15/h1H3
InChIKeyNDRNDAZKCQFBST-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.49
Rot. Bonds5

About methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate

methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate (PubChem CID 2769357) has the molecular formula C6H3F9O4 and a molecular weight of 310.07 g/mol. Its IUPAC name is methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate
PubChem CID2769357
Molecular FormulaC6H3F9O4
Molecular Weight310.07 g/mol
Exact Mass309.99
IUPAC Namemethyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate
SMILESCOC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6H3F9O4/c1-17-2(16)3(7,8)18-4(9,10)5(11,12)19-6(13,14)15/h1H3
InChIKeyNDRNDAZKCQFBST-UHFFFAOYSA-N
XLogP2.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate?
The IUPAC name of methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate (CID 2769357) is methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate.
What is the SMILES notation for methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate?
The canonical SMILES for methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate is COC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate?
The InChIKey is NDRNDAZKCQFBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9O4/c1-17-2(16)3(7,8)18-4(9,10)5(11,12)19-6(13,14)15/h1H3.
What are the key properties of methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate?
methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate has a molecular weight of 310.07 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate is sourced from PubChem (CID 2769357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).