3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine

C12H23F2N — CID 126501632

IUPAC3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine
SMILESCC(F)(F)CN1CCC(C)(C(C)(C)C)C1
InChIInChI=1S/C12H23F2N/c1-10(2,3)11(4)6-7-15(8-11)9-12(5,13)14/h6-9H2,1-5H3
InChIKeySMCHBOGLLDSVMA-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.40
Rot. Bonds2

About 3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine

3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine (PubChem CID 126501632) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine
PubChem CID126501632
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine
SMILESCC(F)(F)CN1CCC(C)(C(C)(C)C)C1
InChIInChI=1S/C12H23F2N/c1-10(2,3)11(4)6-7-15(8-11)9-12(5,13)14/h6-9H2,1-5H3
InChIKeySMCHBOGLLDSVMA-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine?
The IUPAC name of 3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine (CID 126501632) is 3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine?
The canonical SMILES for 3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine is CC(F)(F)CN1CCC(C)(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine?
The InChIKey is SMCHBOGLLDSVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-10(2,3)11(4)6-7-15(8-11)9-12(5,13)14/h6-9H2,1-5H3.
What are the key properties of 3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine?
3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine has a molecular weight of 219.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine is sourced from PubChem (CID 126501632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).