4,4-difluoro-1,2,3-trimethylpiperidine

C8H15F2N — CID 123362487

IUPAC4,4-difluoro-1,2,3-trimethylpiperidine
SMILESCC1C(C)C(F)(F)CCN1C
InChIInChI=1S/C8H15F2N/c1-6-7(2)11(3)5-4-8(6,9)10/h6-7H,4-5H2,1-3H3
InChIKeyVLWYTQJVBYPDEO-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.98
Rot. Bonds

About 4,4-difluoro-1,2,3-trimethylpiperidine

4,4-difluoro-1,2,3-trimethylpiperidine (PubChem CID 123362487) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 4,4-difluoro-1,2,3-trimethylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-1,2,3-trimethylpiperidine
PubChem CID123362487
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name4,4-difluoro-1,2,3-trimethylpiperidine
SMILESCC1C(C)C(F)(F)CCN1C
InChIInChI=1S/C8H15F2N/c1-6-7(2)11(3)5-4-8(6,9)10/h6-7H,4-5H2,1-3H3
InChIKeyVLWYTQJVBYPDEO-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,2,3-trimethylpiperidine?
The IUPAC name of 4,4-difluoro-1,2,3-trimethylpiperidine (CID 123362487) is 4,4-difluoro-1,2,3-trimethylpiperidine.
What is the SMILES notation for 4,4-difluoro-1,2,3-trimethylpiperidine?
The canonical SMILES for 4,4-difluoro-1,2,3-trimethylpiperidine is CC1C(C)C(F)(F)CCN1C.
What is the InChIKey of 4,4-difluoro-1,2,3-trimethylpiperidine?
The InChIKey is VLWYTQJVBYPDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6-7(2)11(3)5-4-8(6,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 4,4-difluoro-1,2,3-trimethylpiperidine?
4,4-difluoro-1,2,3-trimethylpiperidine has a molecular weight of 163.21 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,2,3-trimethylpiperidine is sourced from PubChem (CID 123362487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).