4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine

C9H15F2N — CID 155028665

IUPAC4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine
SMILESC/C=C/CCC1CC(F)(F)CN1
InChIInChI=1S/C9H15F2N/c1-2-3-4-5-8-6-9(10,11)7-12-8/h2-3,8,12H,4-7H2,1H3/b3-2+
InChIKeyZAXVYGAGVIUURU-NSCUHMNNSA-N
MW175.22 g/mol
LogP2.34
Rot. Bonds3

About 4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine

4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine (PubChem CID 155028665) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine
PubChem CID155028665
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine
SMILESC/C=C/CCC1CC(F)(F)CN1
InChIInChI=1S/C9H15F2N/c1-2-3-4-5-8-6-9(10,11)7-12-8/h2-3,8,12H,4-7H2,1H3/b3-2+
InChIKeyZAXVYGAGVIUURU-NSCUHMNNSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.34
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 4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine?
The IUPAC name of 4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine (CID 155028665) is 4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine?
The canonical SMILES for 4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine is C/C=C/CCC1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine?
The InChIKey is ZAXVYGAGVIUURU-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15F2N/c1-2-3-4-5-8-6-9(10,11)7-12-8/h2-3,8,12H,4-7H2,1H3/b3-2+.
What are the key properties of 4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine?
4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine is sourced from PubChem (CID 155028665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).