3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine

C12H21FN2 — CID 165139820

IUPAC3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine
SMILESC=C(CCC1CCCN1)N1CCC(F)C1
InChIInChI=1S/C12H21FN2/c1-10(15-8-6-11(13)9-15)4-5-12-3-2-7-14-12/h11-12,14H,1-9H2
InChIKeyHVYMPCUCOQDJHW-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.08
Rot. Bonds4

About 3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine

3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine (PubChem CID 165139820) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine
PubChem CID165139820
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine
SMILESC=C(CCC1CCCN1)N1CCC(F)C1
InChIInChI=1S/C12H21FN2/c1-10(15-8-6-11(13)9-15)4-5-12-3-2-7-14-12/h11-12,14H,1-9H2
InChIKeyHVYMPCUCOQDJHW-UHFFFAOYSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)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-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine?
The IUPAC name of 3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine (CID 165139820) is 3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine is C=C(CCC1CCCN1)N1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine?
The InChIKey is HVYMPCUCOQDJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2/c1-10(15-8-6-11(13)9-15)4-5-12-3-2-7-14-12/h11-12,14H,1-9H2.
What are the key properties of 3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine?
3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine has a molecular weight of 212.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-pyrrolidin-2-ylbut-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 165139820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).