3-butyl-3-fluoropyrrolidine

C8H16FN — CID 112564219

IUPAC3-butyl-3-fluoropyrrolidine
SMILESCCCCC1(F)CCNC1
InChIInChI=1S/C8H16FN/c1-2-3-4-8(9)5-6-10-7-8/h10H,2-7H2,1H3
InChIKeyXCGBELDLOXKIBC-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.88
Rot. Bonds3

About 3-butyl-3-fluoropyrrolidine

3-butyl-3-fluoropyrrolidine (PubChem CID 112564219) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-butyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-butyl-3-fluoropyrrolidine
PubChem CID112564219
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-butyl-3-fluoropyrrolidine
SMILESCCCCC1(F)CCNC1
InChIInChI=1S/C8H16FN/c1-2-3-4-8(9)5-6-10-7-8/h10H,2-7H2,1H3
InChIKeyXCGBELDLOXKIBC-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-3-fluoroazetidine
CID 112563312
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine
CID 112564275
3-fluoro-3-propylpiperidine
CID 83815245
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
3-but-3-ynyl-3-fluoropyrrolidine
CID 112564424
3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 83815669
(3-butylpyrrolidin-3-yl)methanol
CID 66059430
3-fluoro-3-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 112564234
1-[2-(3-fluoropyrrolidin-3-yl)ethyl]piperidine
CID 84721269
4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride
CID 86633674

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-fluoropyrrolidine?
The IUPAC name of 3-butyl-3-fluoropyrrolidine (CID 112564219) is 3-butyl-3-fluoropyrrolidine.
What is the SMILES notation for 3-butyl-3-fluoropyrrolidine?
The canonical SMILES for 3-butyl-3-fluoropyrrolidine is CCCCC1(F)CCNC1.
What is the InChIKey of 3-butyl-3-fluoropyrrolidine?
The InChIKey is XCGBELDLOXKIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-2-3-4-8(9)5-6-10-7-8/h10H,2-7H2,1H3.
What are the key properties of 3-butyl-3-fluoropyrrolidine?
3-butyl-3-fluoropyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-fluoropyrrolidine is sourced from PubChem (CID 112564219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).