1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine

C12H24FN — CID 138631412

IUPAC1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine
SMILESCCC(C)N1CC(F)CC1C(C)(C)C
InChIInChI=1S/C12H24FN/c1-6-9(2)14-8-10(13)7-11(14)12(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyBGUYZTDCWZVDNJ-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.24
Rot. Bonds2

About 1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine

1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine (PubChem CID 138631412) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine.

Molecular Properties

Compound Name1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine
PubChem CID138631412
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine
SMILESCCC(C)N1CC(F)CC1C(C)(C)C
InChIInChI=1S/C12H24FN/c1-6-9(2)14-8-10(13)7-11(14)12(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyBGUYZTDCWZVDNJ-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine?
The IUPAC name of 1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine (CID 138631412) is 1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine.
What is the SMILES notation for 1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine?
The canonical SMILES for 1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine is CCC(C)N1CC(F)CC1C(C)(C)C.
What is the InChIKey of 1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine?
The InChIKey is BGUYZTDCWZVDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-6-9(2)14-8-10(13)7-11(14)12(3,4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine?
1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine has a molecular weight of 201.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-tert-butyl-4-fluoropyrrolidine is sourced from PubChem (CID 138631412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).