4-tert-butyl-3,3-difluoropyrrolidine

C8H15F2N — CID 115012839

IUPAC4-tert-butyl-3,3-difluoropyrrolidine
SMILESCC(C)(C)C1CNCC1(F)F
InChIInChI=1S/C8H15F2N/c1-7(2,3)6-4-11-5-8(6,9)10/h6,11H,4-5H2,1-3H3
InChIKeyNSXLLIDOSRCDRD-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.89
Rot. Bonds

About 4-tert-butyl-3,3-difluoropyrrolidine

4-tert-butyl-3,3-difluoropyrrolidine (PubChem CID 115012839) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 4-tert-butyl-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name4-tert-butyl-3,3-difluoropyrrolidine
PubChem CID115012839
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name4-tert-butyl-3,3-difluoropyrrolidine
SMILESCC(C)(C)C1CNCC1(F)F
InChIInChI=1S/C8H15F2N/c1-7(2,3)6-4-11-5-8(6,9)10/h6,11H,4-5H2,1-3H3
InChIKeyNSXLLIDOSRCDRD-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,3-difluoropyrrolidine?
The IUPAC name of 4-tert-butyl-3,3-difluoropyrrolidine (CID 115012839) is 4-tert-butyl-3,3-difluoropyrrolidine.
What is the SMILES notation for 4-tert-butyl-3,3-difluoropyrrolidine?
The canonical SMILES for 4-tert-butyl-3,3-difluoropyrrolidine is CC(C)(C)C1CNCC1(F)F.
What is the InChIKey of 4-tert-butyl-3,3-difluoropyrrolidine?
The InChIKey is NSXLLIDOSRCDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-7(2,3)6-4-11-5-8(6,9)10/h6,11H,4-5H2,1-3H3.
What are the key properties of 4-tert-butyl-3,3-difluoropyrrolidine?
4-tert-butyl-3,3-difluoropyrrolidine has a molecular weight of 163.21 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,3-difluoropyrrolidine is sourced from PubChem (CID 115012839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).