2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid

C13H3F23O5 — CID 87841597

IUPAC2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid
SMILESO=C(O)C(F)(CF)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H3F23O5/c14-1-3(15,2(37)38)11(31,32)40-5(17,9(25,26)27)13(35,36)41-6(18,10(28,29)30)12(33,34)39-4(16,7(19,20)21)8(22,23)24/h1H2,(H,37,38)
InChIKeyHKILOXYLUJSDDH-UHFFFAOYSA-N
MW676.12 g/mol
LogP6.82
Rot. Bonds11

About 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid

2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid (PubChem CID 87841597) has the molecular formula C13H3F23O5 and a molecular weight of 676.12 g/mol. Its IUPAC name is 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid
PubChem CID87841597
Molecular FormulaC13H3F23O5
Molecular Weight676.12 g/mol
Exact Mass675.96
IUPAC Name2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid
SMILESO=C(O)C(F)(CF)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H3F23O5/c14-1-3(15,2(37)38)11(31,32)40-5(17,9(25,26)27)13(35,36)41-6(18,10(28,29)30)12(33,34)39-4(16,7(19,20)21)8(22,23)24/h1H2,(H,37,38)
InChIKeyHKILOXYLUJSDDH-UHFFFAOYSA-N
XLogP6.82
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.12
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid?
The IUPAC name of 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid (CID 87841597) is 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid.
What is the SMILES notation for 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid?
The canonical SMILES for 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid is O=C(O)C(F)(CF)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid?
The InChIKey is HKILOXYLUJSDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3F23O5/c14-1-3(15,2(37)38)11(31,32)40-5(17,9(25,26)27)13(35,36)41-6(18,10(28,29)30)12(33,34)39-4(16,7(19,20)21)8(22,23)24/h1H2,(H,37,38).
What are the key properties of 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid?
2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid has a molecular weight of 676.12 g/mol, XLogP of 6.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropanoic acid is sourced from PubChem (CID 87841597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).