4-ethyl-2,5-difluoro-1-methylpiperidine

C8H15F2N — CID 130434383

IUPAC4-ethyl-2,5-difluoro-1-methylpiperidine
SMILESCCC1CC(F)N(C)CC1F
InChIInChI=1S/C8H15F2N/c1-3-6-4-8(10)11(2)5-7(6)9/h6-8H,3-5H2,1-2H3
InChIKeyDCJQFXWTQACSCQ-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.98
Rot. Bonds1

About 4-ethyl-2,5-difluoro-1-methylpiperidine

4-ethyl-2,5-difluoro-1-methylpiperidine (PubChem CID 130434383) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 4-ethyl-2,5-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name4-ethyl-2,5-difluoro-1-methylpiperidine
PubChem CID130434383
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name4-ethyl-2,5-difluoro-1-methylpiperidine
SMILESCCC1CC(F)N(C)CC1F
InChIInChI=1S/C8H15F2N/c1-3-6-4-8(10)11(2)5-7(6)9/h6-8H,3-5H2,1-2H3
InChIKeyDCJQFXWTQACSCQ-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-difluoro-1-methylpiperidine?
The IUPAC name of 4-ethyl-2,5-difluoro-1-methylpiperidine (CID 130434383) is 4-ethyl-2,5-difluoro-1-methylpiperidine.
What is the SMILES notation for 4-ethyl-2,5-difluoro-1-methylpiperidine?
The canonical SMILES for 4-ethyl-2,5-difluoro-1-methylpiperidine is CCC1CC(F)N(C)CC1F.
What is the InChIKey of 4-ethyl-2,5-difluoro-1-methylpiperidine?
The InChIKey is DCJQFXWTQACSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-3-6-4-8(10)11(2)5-7(6)9/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-2,5-difluoro-1-methylpiperidine?
4-ethyl-2,5-difluoro-1-methylpiperidine has a molecular weight of 163.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-difluoro-1-methylpiperidine is sourced from PubChem (CID 130434383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).