(2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine

C12H23F2N — CID 58850020

IUPAC(2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine
SMILESCC(C)(C)[C@@H]1CC(F)(F)CN1C(C)(C)C
InChIInChI=1S/C12H23F2N/c1-10(2,3)9-7-12(13,14)8-15(9)11(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyRJOZFBGHZGURBC-VIFPVBQESA-N
MW219.32 g/mol
LogP3.54
Rot. Bonds

About (2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine

(2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine (PubChem CID 58850020) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is (2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine.

Molecular Properties

Compound Name(2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine
PubChem CID58850020
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name(2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine
SMILESCC(C)(C)[C@@H]1CC(F)(F)CN1C(C)(C)C
InChIInChI=1S/C12H23F2N/c1-10(2,3)9-7-12(13,14)8-15(9)11(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyRJOZFBGHZGURBC-VIFPVBQESA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine?
The IUPAC name of (2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine (CID 58850020) is (2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine.
What is the SMILES notation for (2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine?
The canonical SMILES for (2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine is CC(C)(C)[C@@H]1CC(F)(F)CN1C(C)(C)C.
What is the InChIKey of (2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine?
The InChIKey is RJOZFBGHZGURBC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23F2N/c1-10(2,3)9-7-12(13,14)8-15(9)11(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of (2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine?
(2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine has a molecular weight of 219.32 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-ditert-butyl-4,4-difluoropyrrolidine is sourced from PubChem (CID 58850020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).