[1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate

C7F12O6 — CID 165365519

IUPAC[1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate
SMILESO=C(F)OC(F)(F)C(F)(F)O[C@@]1(F)OC(F)(F)O[C@@]1(F)OC(F)(F)F
InChIInChI=1S/C7F12O6/c8-1(20)21-2(9,10)3(11,12)22-4(13)5(14,23-6(15,16)17)25-7(18,19)24-4/t4-,5+/m1/s1
InChIKeyKWPSTBTZTMMSOS-UHNVWZDZSA-N
MW408.05 g/mol
LogP3.67
Rot. Bonds5

About [1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate

[1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate (PubChem CID 165365519) has the molecular formula C7F12O6 and a molecular weight of 408.05 g/mol. Its IUPAC name is [1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate.

Molecular Properties

Compound Name[1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate
PubChem CID165365519
Molecular FormulaC7F12O6
Molecular Weight408.05 g/mol
Exact Mass407.95
IUPAC Name[1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate
SMILESO=C(F)OC(F)(F)C(F)(F)O[C@@]1(F)OC(F)(F)O[C@@]1(F)OC(F)(F)F
InChIInChI=1S/C7F12O6/c8-1(20)21-2(9,10)3(11,12)22-4(13)5(14,23-6(15,16)17)25-7(18,19)24-4/t4-,5+/m1/s1
InChIKeyKWPSTBTZTMMSOS-UHNVWZDZSA-N
XLogP3.67
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.05
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate?
The IUPAC name of [1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate (CID 165365519) is [1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate.
What is the SMILES notation for [1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate?
The canonical SMILES for [1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate is O=C(F)OC(F)(F)C(F)(F)O[C@@]1(F)OC(F)(F)O[C@@]1(F)OC(F)(F)F.
What is the InChIKey of [1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate?
The InChIKey is KWPSTBTZTMMSOS-UHNVWZDZSA-N. The full InChI is InChI=1S/C7F12O6/c8-1(20)21-2(9,10)3(11,12)22-4(13)5(14,23-6(15,16)17)25-7(18,19)24-4/t4-,5+/m1/s1.
What are the key properties of [1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate?
[1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate has a molecular weight of 408.05 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2-tetrafluoro-2-[[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]ethyl] carbonofluoridate is sourced from PubChem (CID 165365519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).