2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine

C8H3F12NO — CID 146541686

IUPAC2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine
SMILESCO/C(=C(/F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C8H3F12NO/c1-22-2(4(10,11)12)3(9)21-7(17,18)5(13,14)6(15,16)8(21,19)20/h1H3/b3-2-
InChIKeyQOGLIOPMHMKFDN-IHWYPQMZSA-N
MW357.09 g/mol
LogP4.11
Rot. Bonds2

About 2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine

2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine (PubChem CID 146541686) has the molecular formula C8H3F12NO and a molecular weight of 357.09 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine
PubChem CID146541686
Molecular FormulaC8H3F12NO
Molecular Weight357.09 g/mol
Exact Mass357.00
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine
SMILESCO/C(=C(/F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C8H3F12NO/c1-22-2(4(10,11)12)3(9)21-7(17,18)5(13,14)6(15,16)8(21,19)20/h1H3/b3-2-
InChIKeyQOGLIOPMHMKFDN-IHWYPQMZSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.09
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine (CID 146541686) is 2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine is CO/C(=C(/F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine?
The InChIKey is QOGLIOPMHMKFDN-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H3F12NO/c1-22-2(4(10,11)12)3(9)21-7(17,18)5(13,14)6(15,16)8(21,19)20/h1H3/b3-2-.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine?
2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine has a molecular weight of 357.09 g/mol, XLogP of 4.11, 2 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-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine is sourced from PubChem (CID 146541686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).