2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid

C12H2F20O5 — CID 87472249

IUPAC2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
SMILESO=C(O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)=CF)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H2F20O5/c13-1-2(14)5(16,17)36-6(18,9(23,24)25)12(31,32)37-7(19,10(26,27)28)11(29,30)35-4(15,3(33)34)8(20,21)22/h1H,(H,33,34)
InChIKeyXZQUNIQZLUROKC-UHFFFAOYSA-N
MW606.10 g/mol
LogP6.36
Rot. Bonds10

About 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid (PubChem CID 87472249) has the molecular formula C12H2F20O5 and a molecular weight of 606.10 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
PubChem CID87472249
Molecular FormulaC12H2F20O5
Molecular Weight606.10 g/mol
Exact Mass605.96
IUPAC Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
SMILESO=C(O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)=CF)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H2F20O5/c13-1-2(14)5(16,17)36-6(18,9(23,24)25)12(31,32)37-7(19,10(26,27)28)11(29,30)35-4(15,3(33)34)8(20,21)22/h1H,(H,33,34)
InChIKeyXZQUNIQZLUROKC-UHFFFAOYSA-N
XLogP6.36
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.10
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
CID 174355166
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoic acid
CID 102469476
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
CID 87119578
2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride
CID 88684763
2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
CID 102331882
(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
CID 99647678
2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid
CID 11484889
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propoxy]propanoyl fluoride
CID 155982267
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid;hydrochloride
CID 88623980
1,1,1,2,4,5,5,5-octafluoro-2,4-bis[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]pentan-3-one
CID 22750746
2,2,3,3,4,4-hexafluoro-4-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3-pentafluoro-3-oxopropan-2-yl)oxypropan-2-yl]oxybutanoyl fluoride
CID 175754670
4-(1-carboxy-1,2,2,2-tetrafluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic acid
CID 58623351

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid?
The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid (CID 87472249) is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid is O=C(O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)=CF)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid?
The InChIKey is XZQUNIQZLUROKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2F20O5/c13-1-2(14)5(16,17)36-6(18,9(23,24)25)12(31,32)37-7(19,10(26,27)28)11(29,30)35-4(15,3(33)34)8(20,21)22/h1H,(H,33,34).
What are the key properties of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid?
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid has a molecular weight of 606.10 g/mol, XLogP of 6.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid is sourced from PubChem (CID 87472249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).