3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine

C9H10F5N — CID 68813031

IUPAC3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine
SMILESC=C1CNCC1CC(F)(F)C(F)=C(F)F
InChIInChI=1S/C9H10F5N/c1-5-3-15-4-6(5)2-9(13,14)7(10)8(11)12/h6,15H,1-4H2
InChIKeySDJQSONCZPPHQW-UHFFFAOYSA-N
MW227.18 g/mol
LogP2.87
Rot. Bonds3

About 3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine

3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine (PubChem CID 68813031) has the molecular formula C9H10F5N and a molecular weight of 227.18 g/mol. Its IUPAC name is 3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine.

Molecular Properties

Compound Name3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine
PubChem CID68813031
Molecular FormulaC9H10F5N
Molecular Weight227.18 g/mol
Exact Mass227.07
IUPAC Name3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine
SMILESC=C1CNCC1CC(F)(F)C(F)=C(F)F
InChIInChI=1S/C9H10F5N/c1-5-3-15-4-6(5)2-9(13,14)7(10)8(11)12/h6,15H,1-4H2
InChIKeySDJQSONCZPPHQW-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine?
The IUPAC name of 3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine (CID 68813031) is 3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine.
What is the SMILES notation for 3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine?
The canonical SMILES for 3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine is C=C1CNCC1CC(F)(F)C(F)=C(F)F.
What is the InChIKey of 3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine?
The InChIKey is SDJQSONCZPPHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5N/c1-5-3-15-4-6(5)2-9(13,14)7(10)8(11)12/h6,15H,1-4H2.
What are the key properties of 3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine?
3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine has a molecular weight of 227.18 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine is sourced from PubChem (CID 68813031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).