3-tert-butyl-4-fluoropyrrolidine

C8H16FN — CID 115011654

IUPAC3-tert-butyl-4-fluoropyrrolidine
SMILESCC(C)(C)C1CNCC1F
InChIInChI=1S/C8H16FN/c1-8(2,3)6-4-10-5-7(6)9/h6-7,10H,4-5H2,1-3H3
InChIKeyXNVWXPUOKLOSMH-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.59
Rot. Bonds

About 3-tert-butyl-4-fluoropyrrolidine

3-tert-butyl-4-fluoropyrrolidine (PubChem CID 115011654) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-tert-butyl-4-fluoropyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-4-fluoropyrrolidine
PubChem CID115011654
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-tert-butyl-4-fluoropyrrolidine
SMILESCC(C)(C)C1CNCC1F
InChIInChI=1S/C8H16FN/c1-8(2,3)6-4-10-5-7(6)9/h6-7,10H,4-5H2,1-3H3
InChIKeyXNVWXPUOKLOSMH-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-fluoropyrrolidine?
The IUPAC name of 3-tert-butyl-4-fluoropyrrolidine (CID 115011654) is 3-tert-butyl-4-fluoropyrrolidine.
What is the SMILES notation for 3-tert-butyl-4-fluoropyrrolidine?
The canonical SMILES for 3-tert-butyl-4-fluoropyrrolidine is CC(C)(C)C1CNCC1F.
What is the InChIKey of 3-tert-butyl-4-fluoropyrrolidine?
The InChIKey is XNVWXPUOKLOSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-8(2,3)6-4-10-5-7(6)9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-4-fluoropyrrolidine?
3-tert-butyl-4-fluoropyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-fluoropyrrolidine is sourced from PubChem (CID 115011654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).