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

C9H3F11OS — CID 15711447

IUPAC2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene
SMILESFC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)c1cccs1
InChIInChI=1S/C9H3F11OS/c10-5(7(13,14)15,4-2-1-3-22-4)21-9(19,20)6(11,12)8(16,17)18/h1-3H
InChIKeyBUFYVOVLWBMMBV-UHFFFAOYSA-N
MW368.17 g/mol
LogP5.24
Rot. Bonds4

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

2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene (PubChem CID 15711447) has the molecular formula C9H3F11OS and a molecular weight of 368.17 g/mol. Its IUPAC name is 2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene.

Molecular Properties

Compound Name2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene
PubChem CID15711447
Molecular FormulaC9H3F11OS
Molecular Weight368.17 g/mol
Exact Mass367.97
IUPAC Name2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene
SMILESFC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)c1cccs1
InChIInChI=1S/C9H3F11OS/c10-5(7(13,14)15,4-2-1-3-22-4)21-9(19,20)6(11,12)8(16,17)18/h1-3H
InChIKeyBUFYVOVLWBMMBV-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.17
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene?
The IUPAC name of 2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene (CID 15711447) is 2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene.
What is the SMILES notation for 2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene?
The canonical SMILES for 2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene is FC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)c1cccs1.
What is the InChIKey of 2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene?
The InChIKey is BUFYVOVLWBMMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F11OS/c10-5(7(13,14)15,4-2-1-3-22-4)21-9(19,20)6(11,12)8(16,17)18/h1-3H.
What are the key properties of 2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene?
2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene has a molecular weight of 368.17 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene is sourced from PubChem (CID 15711447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).