1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine

C8H8F7N — CID 129271748

IUPAC1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine
SMILESFC(F)=C(F)C(F)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H8F7N/c9-5(6(10)11)7(12,8(13,14)15)16-3-1-2-4-16/h1-4H2
InChIKeyMLMZSONQBLWKCV-UHFFFAOYSA-N
MW251.14 g/mol
LogP3.39
Rot. Bonds2

About 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine

1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine (PubChem CID 129271748) has the molecular formula C8H8F7N and a molecular weight of 251.14 g/mol. Its IUPAC name is 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine
PubChem CID129271748
Molecular FormulaC8H8F7N
Molecular Weight251.14 g/mol
Exact Mass251.05
IUPAC Name1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine
SMILESFC(F)=C(F)C(F)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H8F7N/c9-5(6(10)11)7(12,8(13,14)15)16-3-1-2-4-16/h1-4H2
InChIKeyMLMZSONQBLWKCV-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine?
The IUPAC name of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine (CID 129271748) is 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine.
What is the SMILES notation for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine?
The canonical SMILES for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine is FC(F)=C(F)C(F)(N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine?
The InChIKey is MLMZSONQBLWKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7N/c9-5(6(10)11)7(12,8(13,14)15)16-3-1-2-4-16/h1-4H2.
What are the key properties of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine?
1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine has a molecular weight of 251.14 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)pyrrolidine is sourced from PubChem (CID 129271748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).