2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine

C10H8F11NO — CID 130408104

IUPAC2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine
SMILESFC(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)C1CCCO1
InChIInChI=1S/C10H8F11NO/c11-5(6(12,13)4-2-1-3-23-4)22-9(18,19)7(14,15)8(16,17)10(22,20)21/h4-5H,1-3H2
InChIKeyJDSDRYOHWNXSRH-UHFFFAOYSA-N
MW367.16 g/mol
LogP3.87
Rot. Bonds3

About 2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine

2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine (PubChem CID 130408104) has the molecular formula C10H8F11NO and a molecular weight of 367.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine
PubChem CID130408104
Molecular FormulaC10H8F11NO
Molecular Weight367.16 g/mol
Exact Mass367.04
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine
SMILESFC(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)C1CCCO1
InChIInChI=1S/C10H8F11NO/c11-5(6(12,13)4-2-1-3-23-4)22-9(18,19)7(14,15)8(16,17)10(22,20)21/h4-5H,1-3H2
InChIKeyJDSDRYOHWNXSRH-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine (CID 130408104) is 2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine is FC(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)C1CCCO1.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine?
The InChIKey is JDSDRYOHWNXSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F11NO/c11-5(6(12,13)4-2-1-3-23-4)22-9(18,19)7(14,15)8(16,17)10(22,20)21/h4-5H,1-3H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine?
2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine has a molecular weight of 367.16 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 130408104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).