tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate

C11H19F2NO2 — CID 159307919

IUPACtert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1CNCCC1(F)F
InChIInChI=1S/C11H19F2NO2/c1-10(2,3)16-9(15)6-8-7-14-5-4-11(8,12)13/h8,14H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyLCDRJJBMPYIFET-MRVPVSSYSA-N
MW235.27 g/mol
LogP1.96
Rot. Bonds2

About tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate

tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate (PubChem CID 159307919) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate
PubChem CID159307919
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Nametert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1CNCCC1(F)F
InChIInChI=1S/C11H19F2NO2/c1-10(2,3)16-9(15)6-8-7-14-5-4-11(8,12)13/h8,14H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyLCDRJJBMPYIFET-MRVPVSSYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate?
The IUPAC name of tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate (CID 159307919) is tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate?
The canonical SMILES for tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate is CC(C)(C)OC(=O)C[C@@H]1CNCCC1(F)F.
What is the InChIKey of tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate?
The InChIKey is LCDRJJBMPYIFET-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-10(2,3)16-9(15)6-8-7-14-5-4-11(8,12)13/h8,14H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate?
tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate has a molecular weight of 235.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3R)-4,4-difluoropiperidin-3-yl]acetate is sourced from PubChem (CID 159307919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).