4-tert-butyl-1-(2,2-difluoroethyl)piperidine

C11H21F2N — CID 58394448

IUPAC4-tert-butyl-1-(2,2-difluoroethyl)piperidine
SMILESCC(C)(C)C1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2N/c1-11(2,3)9-4-6-14(7-5-9)8-10(12)13/h9-10H,4-8H2,1-3H3
InChIKeyXWEXIQHXYJPUAV-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.01
Rot. Bonds2

About 4-tert-butyl-1-(2,2-difluoroethyl)piperidine

4-tert-butyl-1-(2,2-difluoroethyl)piperidine (PubChem CID 58394448) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-tert-butyl-1-(2,2-difluoroethyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(2,2-difluoroethyl)piperidine
PubChem CID58394448
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name4-tert-butyl-1-(2,2-difluoroethyl)piperidine
SMILESCC(C)(C)C1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2N/c1-11(2,3)9-4-6-14(7-5-9)8-10(12)13/h9-10H,4-8H2,1-3H3
InChIKeyXWEXIQHXYJPUAV-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2,2-difluoroethyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(2,2-difluoroethyl)piperidine (CID 58394448) is 4-tert-butyl-1-(2,2-difluoroethyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(2,2-difluoroethyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(2,2-difluoroethyl)piperidine is CC(C)(C)C1CCN(CC(F)F)CC1.
What is the InChIKey of 4-tert-butyl-1-(2,2-difluoroethyl)piperidine?
The InChIKey is XWEXIQHXYJPUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-11(2,3)9-4-6-14(7-5-9)8-10(12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(2,2-difluoroethyl)piperidine?
4-tert-butyl-1-(2,2-difluoroethyl)piperidine has a molecular weight of 205.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2,2-difluoroethyl)piperidine is sourced from PubChem (CID 58394448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).