2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid

C17HF31O7 — CID 88738860

IUPAC2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid
SMILESO=C(O)C(F)(F)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)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C17HF31O7/c18-1(19)2(20)51-14(41,42)5(23,9(27,28)29)53-16(45,46)7(25,11(33,34)35)55-17(47,48)8(26,12(36,37)38)54-15(43,44)6(24,10(30,31)32)52-13(39,40)4(21,22)3(49)50/h(H,49,50)
InChIKeyQVLSQZWIKGYQGU-UHFFFAOYSA-N
MW906.13 g/mol
LogP9.70
Rot. Bonds16

About 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid

2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid (PubChem CID 88738860) has the molecular formula C17HF31O7 and a molecular weight of 906.13 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid
PubChem CID88738860
Molecular FormulaC17HF31O7
Molecular Weight906.13 g/mol
Exact Mass905.92
IUPAC Name2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid
SMILESO=C(O)C(F)(F)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)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C17HF31O7/c18-1(19)2(20)51-14(41,42)5(23,9(27,28)29)53-16(45,46)7(25,11(33,34)35)55-17(47,48)8(26,12(36,37)38)54-15(43,44)6(24,10(30,31)32)52-13(39,40)4(21,22)3(49)50/h(H,49,50)
InChIKeyQVLSQZWIKGYQGU-UHFFFAOYSA-N
XLogP9.70
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.13
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid (CID 88738860) is 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid is O=C(O)C(F)(F)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)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid?
The InChIKey is QVLSQZWIKGYQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17HF31O7/c18-1(19)2(20)51-14(41,42)5(23,9(27,28)29)53-16(45,46)7(25,11(33,34)35)55-17(47,48)8(26,12(36,37)38)54-15(43,44)6(24,10(30,31)32)52-13(39,40)4(21,22)3(49)50/h(H,49,50).
What are the key properties of 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid?
2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid has a molecular weight of 906.13 g/mol, XLogP of 9.70, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid is sourced from PubChem (CID 88738860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).