3-tert-butyl-3-fluoropyrrolidine

C8H16FN — CID 83855262

IUPAC3-tert-butyl-3-fluoropyrrolidine
SMILESCC(C)(C)C1(F)CCNC1
InChIInChI=1S/C8H16FN/c1-7(2,3)8(9)4-5-10-6-8/h10H,4-6H2,1-3H3
InChIKeySWPAWIALQZBXCR-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds

About 3-tert-butyl-3-fluoropyrrolidine

3-tert-butyl-3-fluoropyrrolidine (PubChem CID 83855262) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-tert-butyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-3-fluoropyrrolidine
PubChem CID83855262
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-tert-butyl-3-fluoropyrrolidine
SMILESCC(C)(C)C1(F)CCNC1
InChIInChI=1S/C8H16FN/c1-7(2,3)8(9)4-5-10-6-8/h10H,4-6H2,1-3H3
InChIKeySWPAWIALQZBXCR-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 3-tert-butyl-3-fluoropyrrolidine?
The IUPAC name of 3-tert-butyl-3-fluoropyrrolidine (CID 83855262) is 3-tert-butyl-3-fluoropyrrolidine.
What is the SMILES notation for 3-tert-butyl-3-fluoropyrrolidine?
The canonical SMILES for 3-tert-butyl-3-fluoropyrrolidine is CC(C)(C)C1(F)CCNC1.
What is the InChIKey of 3-tert-butyl-3-fluoropyrrolidine?
The InChIKey is SWPAWIALQZBXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2,3)8(9)4-5-10-6-8/h10H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-3-fluoropyrrolidine?
3-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 3-tert-butyl-3-fluoropyrrolidine is sourced from PubChem (CID 83855262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).