2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride

C6F10O4 — CID 23235156

IUPAC2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
SMILESO=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)F
InChIInChI=1S/C6F10O4/c7-1(17)3(9,10)19-5(13,14)6(15,16)20-4(11,12)2(8)18
InChIKeyYOESRXYSDZQSHW-UHFFFAOYSA-N
MW326.04 g/mol
LogP2.38
Rot. Bonds7

About 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride

2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride (PubChem CID 23235156) has the molecular formula C6F10O4 and a molecular weight of 326.04 g/mol. Its IUPAC name is 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
PubChem CID23235156
Molecular FormulaC6F10O4
Molecular Weight326.04 g/mol
Exact Mass325.96
IUPAC Name2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
SMILESO=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)F
InChIInChI=1S/C6F10O4/c7-1(17)3(9,10)19-5(13,14)6(15,16)20-4(11,12)2(8)18
InChIKeyYOESRXYSDZQSHW-UHFFFAOYSA-N
XLogP2.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.04
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride
CID 175723871
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate
CID 156700386
azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
CID 175001633
2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
CID 160862772
2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid
CID 15570709
sodium 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]ethoxy]acetate
CID 175696447
azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetic acid
CID 175696446
2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide
CID 71331963
3-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoroprop-1-ene
CID 167596085
2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate
CID 162679402
2,2-difluoro-2-[1,1,3,3,3-pentafluoro-2-[fluoro-(1,1,2,2,3-pentafluoro-3-methylbutoxy)amino]propoxy]acetyl fluoride
CID 166785671
3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride
CID 11659940

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride?
The IUPAC name of 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride (CID 23235156) is 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride.
What is the SMILES notation for 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride?
The canonical SMILES for 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride is O=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)F.
What is the InChIKey of 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride?
The InChIKey is YOESRXYSDZQSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O4/c7-1(17)3(9,10)19-5(13,14)6(15,16)20-4(11,12)2(8)18.
What are the key properties of 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride?
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride has a molecular weight of 326.04 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride is sourced from PubChem (CID 23235156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).