2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride

C6F12O3 — CID 175723871

IUPAC2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride
SMILESO=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6F12O3/c7-1(19)2(8,9)20-4(12,13)3(10,11)5(14,15)21-6(16,17)18
InChIKeyZUZNDFQVJWSHNY-UHFFFAOYSA-N
MW348.04 g/mol
LogP3.45
Rot. Bonds6

About 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride

2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride (PubChem CID 175723871) has the molecular formula C6F12O3 and a molecular weight of 348.04 g/mol. Its IUPAC name is 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride
PubChem CID175723871
Molecular FormulaC6F12O3
Molecular Weight348.04 g/mol
Exact Mass347.97
IUPAC Name2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride
SMILESO=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6F12O3/c7-1(19)2(8,9)20-4(12,13)3(10,11)5(14,15)21-6(16,17)18
InChIKeyZUZNDFQVJWSHNY-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
CID 23235156
1,1,2,2,3,3-hexafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethoxy]-3-(trifluoromethoxy)propane
CID 175703673
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
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluoro-13-(trifluoromethoxy)tridecanoic acid
CID 139595749
2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
CID 121435395
2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol
CID 66573360
[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
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonic acid
CID 139597355
3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride
CID 11659940
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-bis(1,1,2,3,3-pentafluoroprop-2-enoxy)hexane
CID 20507002
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-11-(trifluoromethoxy)undecane-1-sulfonic acid
CID 165364498

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride?
The IUPAC name of 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride (CID 175723871) is 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride.
What is the SMILES notation for 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride?
The canonical SMILES for 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride is O=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride?
The InChIKey is ZUZNDFQVJWSHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O3/c7-1(19)2(8,9)20-4(12,13)3(10,11)5(14,15)21-6(16,17)18.
What are the key properties of 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride?
2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride has a molecular weight of 348.04 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride is sourced from PubChem (CID 175723871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).