4-tert-butyl-1-ethyl-3,3-difluoropiperidine

C11H21F2N — CID 58394801

IUPAC4-tert-butyl-1-ethyl-3,3-difluoropiperidine
SMILESCCN1CCC(C(C)(C)C)C(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-5-14-7-6-9(10(2,3)4)11(12,13)8-14/h9H,5-8H2,1-4H3
InChIKeyYRWAYINOEBZMMR-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.01
Rot. Bonds1

About 4-tert-butyl-1-ethyl-3,3-difluoropiperidine

4-tert-butyl-1-ethyl-3,3-difluoropiperidine (PubChem CID 58394801) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-tert-butyl-1-ethyl-3,3-difluoropiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-ethyl-3,3-difluoropiperidine
PubChem CID58394801
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name4-tert-butyl-1-ethyl-3,3-difluoropiperidine
SMILESCCN1CCC(C(C)(C)C)C(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-5-14-7-6-9(10(2,3)4)11(12,13)8-14/h9H,5-8H2,1-4H3
InChIKeyYRWAYINOEBZMMR-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

Analyze 4-tert-butyl-1-ethyl-3,3-difluoropiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethyl-3,3-difluoropiperidine?
The IUPAC name of 4-tert-butyl-1-ethyl-3,3-difluoropiperidine (CID 58394801) is 4-tert-butyl-1-ethyl-3,3-difluoropiperidine.
What is the SMILES notation for 4-tert-butyl-1-ethyl-3,3-difluoropiperidine?
The canonical SMILES for 4-tert-butyl-1-ethyl-3,3-difluoropiperidine is CCN1CCC(C(C)(C)C)C(F)(F)C1.
What is the InChIKey of 4-tert-butyl-1-ethyl-3,3-difluoropiperidine?
The InChIKey is YRWAYINOEBZMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-5-14-7-6-9(10(2,3)4)11(12,13)8-14/h9H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-1-ethyl-3,3-difluoropiperidine?
4-tert-butyl-1-ethyl-3,3-difluoropiperidine has a molecular weight of 205.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethyl-3,3-difluoropiperidine is sourced from PubChem (CID 58394801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).