2-tert-butyl-3-fluoropyrrolidine

C8H16FN — CID 83855238

IUPAC2-tert-butyl-3-fluoropyrrolidine
SMILESCC(C)(C)C1NCCC1F
InChIInChI=1S/C8H16FN/c1-8(2,3)7-6(9)4-5-10-7/h6-7,10H,4-5H2,1-3H3
InChIKeyNMXIWUWXOXFINP-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds

About 2-tert-butyl-3-fluoropyrrolidine

2-tert-butyl-3-fluoropyrrolidine (PubChem CID 83855238) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 2-tert-butyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-3-fluoropyrrolidine
PubChem CID83855238
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name2-tert-butyl-3-fluoropyrrolidine
SMILESCC(C)(C)C1NCCC1F
InChIInChI=1S/C8H16FN/c1-8(2,3)7-6(9)4-5-10-7/h6-7,10H,4-5H2,1-3H3
InChIKeyNMXIWUWXOXFINP-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluoropyrrolidine?
The IUPAC name of 2-tert-butyl-3-fluoropyrrolidine (CID 83855238) is 2-tert-butyl-3-fluoropyrrolidine.
What is the SMILES notation for 2-tert-butyl-3-fluoropyrrolidine?
The canonical SMILES for 2-tert-butyl-3-fluoropyrrolidine is CC(C)(C)C1NCCC1F.
What is the InChIKey of 2-tert-butyl-3-fluoropyrrolidine?
The InChIKey is NMXIWUWXOXFINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-8(2,3)7-6(9)4-5-10-7/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-3-fluoropyrrolidine?
2-tert-butyl-3-fluoropyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluoropyrrolidine is sourced from PubChem (CID 83855238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).