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

C11H22FN — CID 129106684

IUPAC1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(F)CN1C(C)(C)C
InChIInChI=1S/C11H22FN/c1-8(2)10-6-9(12)7-13(10)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyAGLFBPKFJSUSDG-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.85
Rot. Bonds1

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

1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine (PubChem CID 129106684) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine
PubChem CID129106684
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(F)CN1C(C)(C)C
InChIInChI=1S/C11H22FN/c1-8(2)10-6-9(12)7-13(10)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyAGLFBPKFJSUSDG-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine (CID 129106684) is 1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine is CC(C)C1CC(F)CN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine?
The InChIKey is AGLFBPKFJSUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-8(2)10-6-9(12)7-13(10)11(3,4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine?
1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 129106684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).