3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine

C11H22FN — CID 58530916

IUPAC3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(F)C(C(C)(C)C)C1
InChIInChI=1S/C11H22FN/c1-8(2)13-6-9(10(12)7-13)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyBLWBOGVENBWFCW-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds1

About 3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine

3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine (PubChem CID 58530916) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine
PubChem CID58530916
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(F)C(C(C)(C)C)C1
InChIInChI=1S/C11H22FN/c1-8(2)13-6-9(10(12)7-13)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyBLWBOGVENBWFCW-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4,4-Tetramethylpyrrolidine
CID 12172228
Tetramethylpyrrolidine
CID 22033887
3-(3-Fluoropropyl)-1-methylpyrrolidine
CID 18723118
2-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 22972511
1,2-Ditert-butyl-4-fluoropyrrolidine
CID 58185605
4-Tert-butyl-1-(1-fluoropropan-2-yl)piperidine
CID 58394537
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 58473066
3-Tert-butyl-4-fluoro-1-methylpyrrolidine
CID 58530504
3-Tert-butyl-1-ethyl-4-fluoropyrrolidine
CID 58530553
2-(2,2-Dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 58530718
(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine
CID 58578233
1-(2-Fluoroethyl)-2-propan-2-ylpyrrolidine
CID 58578283

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine (CID 58530916) is 3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine is CC(C)N1CC(F)C(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine?
The InChIKey is BLWBOGVENBWFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-8(2)13-6-9(10(12)7-13)11(3,4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine?
3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 58530916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).