4,4-difluoro-3-propan-2-ylpiperidine

C8H15F2N — CID 84651634

IUPAC4,4-difluoro-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1(F)F
InChIInChI=1S/C8H15F2N/c1-6(2)7-5-11-4-3-8(7,9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyRBIFGZAZJFXCSP-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.89
Rot. Bonds1

About 4,4-difluoro-3-propan-2-ylpiperidine

4,4-difluoro-3-propan-2-ylpiperidine (PubChem CID 84651634) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 4,4-difluoro-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-3-propan-2-ylpiperidine
PubChem CID84651634
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name4,4-difluoro-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1(F)F
InChIInChI=1S/C8H15F2N/c1-6(2)7-5-11-4-3-8(7,9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyRBIFGZAZJFXCSP-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-propan-2-ylpiperidine?
The IUPAC name of 4,4-difluoro-3-propan-2-ylpiperidine (CID 84651634) is 4,4-difluoro-3-propan-2-ylpiperidine.
What is the SMILES notation for 4,4-difluoro-3-propan-2-ylpiperidine?
The canonical SMILES for 4,4-difluoro-3-propan-2-ylpiperidine is CC(C)C1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-propan-2-ylpiperidine?
The InChIKey is RBIFGZAZJFXCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(2)7-5-11-4-3-8(7,9)10/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 4,4-difluoro-3-propan-2-ylpiperidine?
4,4-difluoro-3-propan-2-ylpiperidine has a molecular weight of 163.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-propan-2-ylpiperidine is sourced from PubChem (CID 84651634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).