4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine

C12H23F2N — CID 118243066

IUPAC4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1C(C)C(C)C(F)(F)C(C)C1C
InChIInChI=1S/C12H23F2N/c1-7(2)15-10(5)8(3)12(13,14)9(4)11(15)6/h7-11H,1-6H3
InChIKeyPKBGCPJIMOCTJM-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.39
Rot. Bonds1

About 4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine

4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine (PubChem CID 118243066) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine
PubChem CID118243066
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1C(C)C(C)C(F)(F)C(C)C1C
InChIInChI=1S/C12H23F2N/c1-7(2)15-10(5)8(3)12(13,14)9(4)11(15)6/h7-11H,1-6H3
InChIKeyPKBGCPJIMOCTJM-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine?
The IUPAC name of 4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine (CID 118243066) is 4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine is CC(C)N1C(C)C(C)C(F)(F)C(C)C1C.
What is the InChIKey of 4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine?
The InChIKey is PKBGCPJIMOCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-7(2)15-10(5)8(3)12(13,14)9(4)11(15)6/h7-11H,1-6H3.
What are the key properties of 4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine?
4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine has a molecular weight of 219.32 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,3,5,6-tetramethyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 118243066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).