1,2-ditert-butyl-4-fluoropyrrolidine

C12H24FN — CID 58185605

IUPAC1,2-ditert-butyl-4-fluoropyrrolidine
SMILESCC(C)(C)C1CC(F)CN1C(C)(C)C
InChIInChI=1S/C12H24FN/c1-11(2,3)10-7-9(13)8-14(10)12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyCLCKFWVNSXLCFN-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.24
Rot. Bonds

About 1,2-ditert-butyl-4-fluoropyrrolidine

1,2-ditert-butyl-4-fluoropyrrolidine (PubChem CID 58185605) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-fluoropyrrolidine.

Molecular Properties

Compound Name1,2-ditert-butyl-4-fluoropyrrolidine
PubChem CID58185605
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name1,2-ditert-butyl-4-fluoropyrrolidine
SMILESCC(C)(C)C1CC(F)CN1C(C)(C)C
InChIInChI=1S/C12H24FN/c1-11(2,3)10-7-9(13)8-14(10)12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyCLCKFWVNSXLCFN-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-fluoropyrrolidine?
The IUPAC name of 1,2-ditert-butyl-4-fluoropyrrolidine (CID 58185605) is 1,2-ditert-butyl-4-fluoropyrrolidine.
What is the SMILES notation for 1,2-ditert-butyl-4-fluoropyrrolidine?
The canonical SMILES for 1,2-ditert-butyl-4-fluoropyrrolidine is CC(C)(C)C1CC(F)CN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-4-fluoropyrrolidine?
The InChIKey is CLCKFWVNSXLCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-11(2,3)10-7-9(13)8-14(10)12(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-4-fluoropyrrolidine?
1,2-ditert-butyl-4-fluoropyrrolidine has a molecular weight of 201.33 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-fluoropyrrolidine is sourced from PubChem (CID 58185605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).