1-but-3-en-2-yl-2-fluoropyrrolidine

C8H14FN — CID 167204155

IUPAC1-but-3-en-2-yl-2-fluoropyrrolidine
SMILESC=CC(C)N1CCCC1F
InChIInChI=1S/C8H14FN/c1-3-7(2)10-6-4-5-8(10)9/h3,7-8H,1,4-6H2,2H3
InChIKeyQTRRDOPIYJNOBB-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.95
Rot. Bonds2

About 1-but-3-en-2-yl-2-fluoropyrrolidine

1-but-3-en-2-yl-2-fluoropyrrolidine (PubChem CID 167204155) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2-fluoropyrrolidine.

Molecular Properties

Compound Name1-but-3-en-2-yl-2-fluoropyrrolidine
PubChem CID167204155
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name1-but-3-en-2-yl-2-fluoropyrrolidine
SMILESC=CC(C)N1CCCC1F
InChIInChI=1S/C8H14FN/c1-3-7(2)10-6-4-5-8(10)9/h3,7-8H,1,4-6H2,2H3
InChIKeyQTRRDOPIYJNOBB-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-But-3-en-2-ylpyrrolidine
CID 57120204
(4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine
CID 126637121
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)pyrrolidine
CID 129207766
1-(2,3-Difluorobut-3-en-2-yl)pyrrolidine
CID 140936885
3,3-Difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine
CID 142596240
(3R)-1-but-3-enyl-3-fluoropyrrolidine
CID 144686706
1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine
CID 155217221
1-(4,4-Difluorohexa-1,5-dien-3-yl)pyrrolidine
CID 155372748
2-Ethenyl-1-ethyl-4-fluoropyrrolidine
CID 156099572
(4S)-4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
CID 164921927
2-Ethenyl-1-(2-fluoroethyl)pyrrolidine
CID 164922067
4-fluoro-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
CID 164922214

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-2-fluoropyrrolidine?
The IUPAC name of 1-but-3-en-2-yl-2-fluoropyrrolidine (CID 167204155) is 1-but-3-en-2-yl-2-fluoropyrrolidine.
What is the SMILES notation for 1-but-3-en-2-yl-2-fluoropyrrolidine?
The canonical SMILES for 1-but-3-en-2-yl-2-fluoropyrrolidine is C=CC(C)N1CCCC1F.
What is the InChIKey of 1-but-3-en-2-yl-2-fluoropyrrolidine?
The InChIKey is QTRRDOPIYJNOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-7(2)10-6-4-5-8(10)9/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 1-but-3-en-2-yl-2-fluoropyrrolidine?
1-but-3-en-2-yl-2-fluoropyrrolidine has a molecular weight of 143.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2-fluoropyrrolidine is sourced from PubChem (CID 167204155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).