1-(4-fluorobutyl)pyrrolidine

C8H16FN — CID 44603982

IUPAC1-(4-fluorobutyl)pyrrolidine
SMILESFCCCCN1CCCC1
InChIInChI=1S/C8H16FN/c9-5-1-2-6-10-7-3-4-8-10/h1-8H2
InChIKeyMFDQQFOTRQTBQJ-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.83
Rot. Bonds4

About 1-(4-fluorobutyl)pyrrolidine

1-(4-fluorobutyl)pyrrolidine (PubChem CID 44603982) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 1-(4-fluorobutyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-fluorobutyl)pyrrolidine
PubChem CID44603982
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name1-(4-fluorobutyl)pyrrolidine
SMILESFCCCCN1CCCC1
InChIInChI=1S/C8H16FN/c9-5-1-2-6-10-7-3-4-8-10/h1-8H2
InChIKeyMFDQQFOTRQTBQJ-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Butylpyrrolidine
CID 69843
1-Butyl-1-methylpyrrolidinium chloride
CID 11769095
1-Methyl-1-propylpyrrolidinium iodide
CID 12059922
1-Butyl-1-methylpyrrolidinium bromide
CID 11009532
1-Methyl-1-propylpyrrolidinium chloride
CID 60196394
1-Butyl-1-methylpyrrolidinium iodide
CID 11076461
Pyrrolidinium, 1,1-diethyl-, bromide
CID 122438
1-Methyl-1-propylpyrrolidinium bromide
CID 16719897
1-Butyl-1-methylpyrrolidinium
CID 11009533
1-(2,2,2-Trifluoroethyl)pyrrolidine
CID 21810045
1-Ethyl-1-methylpyrrolidinium
CID 112265
1-Methyl-1-propylpyrrolidinium
CID 12059918

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobutyl)pyrrolidine?
The IUPAC name of 1-(4-fluorobutyl)pyrrolidine (CID 44603982) is 1-(4-fluorobutyl)pyrrolidine.
What is the SMILES notation for 1-(4-fluorobutyl)pyrrolidine?
The canonical SMILES for 1-(4-fluorobutyl)pyrrolidine is FCCCCN1CCCC1.
What is the InChIKey of 1-(4-fluorobutyl)pyrrolidine?
The InChIKey is MFDQQFOTRQTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c9-5-1-2-6-10-7-3-4-8-10/h1-8H2.
What are the key properties of 1-(4-fluorobutyl)pyrrolidine?
1-(4-fluorobutyl)pyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)pyrrolidine is sourced from PubChem (CID 44603982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).