2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene

C12H3F17O2S — CID 15711448

IUPAC2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene
SMILESFC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1cccs1
InChIInChI=1S/C12H3F17O2S/c13-5(8(17,18)19,4-2-1-3-32-4)30-12(28,29)7(16,10(23,24)25)31-11(26,27)6(14,15)9(20,21)22/h1-3H
InChIKeyYMFWNOGGQDOOQA-UHFFFAOYSA-N
MW534.19 g/mol
LogP7.08
Rot. Bonds7

About 2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene

2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene (PubChem CID 15711448) has the molecular formula C12H3F17O2S and a molecular weight of 534.19 g/mol. Its IUPAC name is 2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene.

Molecular Properties

Compound Name2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene
PubChem CID15711448
Molecular FormulaC12H3F17O2S
Molecular Weight534.19 g/mol
Exact Mass533.96
IUPAC Name2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene
SMILESFC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1cccs1
InChIInChI=1S/C12H3F17O2S/c13-5(8(17,18)19,4-2-1-3-32-4)30-12(28,29)7(16,10(23,24)25)31-11(26,27)6(14,15)9(20,21)22/h1-3H
InChIKeyYMFWNOGGQDOOQA-UHFFFAOYSA-N
XLogP7.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.19
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene?
The IUPAC name of 2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene (CID 15711448) is 2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene.
What is the SMILES notation for 2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene?
The canonical SMILES for 2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene is FC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1cccs1.
What is the InChIKey of 2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene?
The InChIKey is YMFWNOGGQDOOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F17O2S/c13-5(8(17,18)19,4-2-1-3-32-4)30-12(28,29)7(16,10(23,24)25)31-11(26,27)6(14,15)9(20,21)22/h1-3H.
What are the key properties of 2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene?
2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene has a molecular weight of 534.19 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene is sourced from PubChem (CID 15711448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).