(3R)-1-but-3-enyl-3-fluoropyrrolidine

C8H14FN — CID 144686706

IUPAC(3R)-1-but-3-enyl-3-fluoropyrrolidine
SMILESC=CCCN1CC[C@@H](F)C1
InChIInChI=1S/C8H14FN/c1-2-3-5-10-6-4-8(9)7-10/h2,8H,1,3-7H2/t8-/m1/s1
InChIKeyUWMIIJQXFUQIPJ-MRVPVSSYSA-N
MW143.21 g/mol
LogP1.61
Rot. Bonds3

About (3R)-1-but-3-enyl-3-fluoropyrrolidine

(3R)-1-but-3-enyl-3-fluoropyrrolidine (PubChem CID 144686706) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is (3R)-1-but-3-enyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-but-3-enyl-3-fluoropyrrolidine
PubChem CID144686706
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name(3R)-1-but-3-enyl-3-fluoropyrrolidine
SMILESC=CCCN1CC[C@@H](F)C1
InChIInChI=1S/C8H14FN/c1-2-3-5-10-6-4-8(9)7-10/h2,8H,1,3-7H2/t8-/m1/s1
InChIKeyUWMIIJQXFUQIPJ-MRVPVSSYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Butenyl)pyrrolidine
CID 250707
1-(4-Pentenyl)pyrrolidine
CID 558404
1-(1-Fluoroprop-2-enyl)pyrrolidine
CID 68636995
2-Fluoro-1-prop-2-enylpyrrolidine
CID 68636996
1-(3-Fluoroprop-2-enyl)pyrrolidine
CID 68636999
2,2,3,3,4,4,5,5-Octafluoro-1-(1,2,2-trifluorobut-3-enyl)pyrrolidine
CID 124111205
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine
CID 124118183
1-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 124118188
1-(1,1,2,3,3-Pentafluoropent-4-enyl)pyrrolidine
CID 134384144
1-(1,2-Difluoro-2-methylbut-3-enyl)pyrrolidine
CID 134531037
1-(1,1,2,3-Tetrafluorobut-3-enyl)pyrrolidine
CID 153618283
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine;hydrofluoride
CID 157358112

Frequently Asked Questions

What is the IUPAC name of (3R)-1-but-3-enyl-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-but-3-enyl-3-fluoropyrrolidine (CID 144686706) is (3R)-1-but-3-enyl-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-but-3-enyl-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-but-3-enyl-3-fluoropyrrolidine is C=CCCN1CC[C@@H](F)C1.
What is the InChIKey of (3R)-1-but-3-enyl-3-fluoropyrrolidine?
The InChIKey is UWMIIJQXFUQIPJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14FN/c1-2-3-5-10-6-4-8(9)7-10/h2,8H,1,3-7H2/t8-/m1/s1.
What are the key properties of (3R)-1-but-3-enyl-3-fluoropyrrolidine?
(3R)-1-but-3-enyl-3-fluoropyrrolidine has a molecular weight of 143.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-but-3-enyl-3-fluoropyrrolidine is sourced from PubChem (CID 144686706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).