1-(2,3-difluorobut-3-en-2-yl)pyrrolidine

C8H13F2N — CID 140936885

IUPAC1-(2,3-difluorobut-3-en-2-yl)pyrrolidine
SMILESC=C(F)C(C)(F)N1CCCC1
InChIInChI=1S/C8H13F2N/c1-7(9)8(2,10)11-5-3-4-6-11/h1,3-6H2,2H3
InChIKeyPVGDAFVBLLEORF-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds2

About 1-(2,3-difluorobut-3-en-2-yl)pyrrolidine

1-(2,3-difluorobut-3-en-2-yl)pyrrolidine (PubChem CID 140936885) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-(2,3-difluorobut-3-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,3-difluorobut-3-en-2-yl)pyrrolidine
PubChem CID140936885
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-(2,3-difluorobut-3-en-2-yl)pyrrolidine
SMILESC=C(F)C(C)(F)N1CCCC1
InChIInChI=1S/C8H13F2N/c1-7(9)8(2,10)11-5-3-4-6-11/h1,3-6H2,2H3
InChIKeyPVGDAFVBLLEORF-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,3-difluorobut-3-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

Related Compounds

1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)pyrrolidine
CID 129207494
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)pyrrolidine
CID 129207766
1-(1,1,1,2,3,4,4-Heptafluorobut-3-en-2-yl)pyrrolidine
CID 129271748
1-(1,2-Difluoro-2-methylbut-3-enyl)pyrrolidine
CID 134531037
3,3-Difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine
CID 142596240
1-(1,1,2,2,3-Pentafluorobut-3-enyl)pyrrolidine
CID 153618295
1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine
CID 155217221
1-[2-Fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine
CID 163550256
1-(2,3-Difluoropent-1-en-3-yl)pyrrolidine
CID 163757966
(3R)-1-[(2S)-but-3-en-2-yl]-3-fluoropyrrolidine
CID 166079538
1-But-3-en-2-yl-2-fluoropyrrolidine
CID 167204155
1-Tert-butyl-3-(difluoromethylidene)pyrrolidine
CID 176805116

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorobut-3-en-2-yl)pyrrolidine?
The IUPAC name of 1-(2,3-difluorobut-3-en-2-yl)pyrrolidine (CID 140936885) is 1-(2,3-difluorobut-3-en-2-yl)pyrrolidine.
What is the SMILES notation for 1-(2,3-difluorobut-3-en-2-yl)pyrrolidine?
The canonical SMILES for 1-(2,3-difluorobut-3-en-2-yl)pyrrolidine is C=C(F)C(C)(F)N1CCCC1.
What is the InChIKey of 1-(2,3-difluorobut-3-en-2-yl)pyrrolidine?
The InChIKey is PVGDAFVBLLEORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-7(9)8(2,10)11-5-3-4-6-11/h1,3-6H2,2H3.
What are the key properties of 1-(2,3-difluorobut-3-en-2-yl)pyrrolidine?
1-(2,3-difluorobut-3-en-2-yl)pyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorobut-3-en-2-yl)pyrrolidine is sourced from PubChem (CID 140936885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).