2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine

C13H23F2N — CID 171756211

IUPAC2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine
SMILESCC(C)N1CC(=C(F)F)CCC1C(C)(C)C
InChIInChI=1S/C13H23F2N/c1-9(2)16-8-10(12(14)15)6-7-11(16)13(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyADXATOQZDLCPTH-UHFFFAOYSA-N
MW231.33 g/mol
LogP4.06
Rot. Bonds1

About 2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine

2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine (PubChem CID 171756211) has the molecular formula C13H23F2N and a molecular weight of 231.33 g/mol. Its IUPAC name is 2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine
PubChem CID171756211
Molecular FormulaC13H23F2N
Molecular Weight231.33 g/mol
Exact Mass231.18
IUPAC Name2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine
SMILESCC(C)N1CC(=C(F)F)CCC1C(C)(C)C
InChIInChI=1S/C13H23F2N/c1-9(2)16-8-10(12(14)15)6-7-11(16)13(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyADXATOQZDLCPTH-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine?
The IUPAC name of 2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine (CID 171756211) is 2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine.
What is the SMILES notation for 2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine?
The canonical SMILES for 2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine is CC(C)N1CC(=C(F)F)CCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine?
The InChIKey is ADXATOQZDLCPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N/c1-9(2)16-8-10(12(14)15)6-7-11(16)13(3,4)5/h9,11H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine?
2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine has a molecular weight of 231.33 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine is sourced from PubChem (CID 171756211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).