3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine

C11H17F4N — CID 146374187

IUPAC3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine
SMILESC=CC(F)(F)CC1CNCC1CC(C)(F)F
InChIInChI=1S/C11H17F4N/c1-3-11(14,15)5-9-7-16-6-8(9)4-10(2,12)13/h3,8-9,16H,1,4-7H2,2H3
InChIKeyAIEUVFQUZLXNTN-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.08
Rot. Bonds5

About 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine

3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine (PubChem CID 146374187) has the molecular formula C11H17F4N and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine
PubChem CID146374187
Molecular FormulaC11H17F4N
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Name3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine
SMILESC=CC(F)(F)CC1CNCC1CC(C)(F)F
InChIInChI=1S/C11H17F4N/c1-3-11(14,15)5-9-7-16-6-8(9)4-10(2,12)13/h3,8-9,16H,1,4-7H2,2H3
InChIKeyAIEUVFQUZLXNTN-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine?
The IUPAC name of 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine (CID 146374187) is 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine.
What is the SMILES notation for 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine?
The canonical SMILES for 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine is C=CC(F)(F)CC1CNCC1CC(C)(F)F.
What is the InChIKey of 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine?
The InChIKey is AIEUVFQUZLXNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4N/c1-3-11(14,15)5-9-7-16-6-8(9)4-10(2,12)13/h3,8-9,16H,1,4-7H2,2H3.
What are the key properties of 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine?
3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine has a molecular weight of 239.26 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorobut-3-enyl)-4-(2,2-difluoropropyl)pyrrolidine is sourced from PubChem (CID 146374187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).