4,4-difluoropiperidine;4-fluoropiperidine

C10H19F3N2 — CID 70094728

IUPAC4,4-difluoropiperidine;4-fluoropiperidine
SMILESFC1(F)CCNCC1.FC1CCNCC1
InChIInChI=1S/C5H9F2N.C5H10FN/c6-5(7)1-3-8-4-2-5;6-5-1-3-7-4-2-5/h8H,1-4H2;5,7H,1-4H2
InChIKeyIXLWFKOHMMFDET-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.71
Rot. Bonds

About 4,4-difluoropiperidine;4-fluoropiperidine

4,4-difluoropiperidine;4-fluoropiperidine (PubChem CID 70094728) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4,4-difluoropiperidine;4-fluoropiperidine.

Molecular Properties

Compound Name4,4-difluoropiperidine;4-fluoropiperidine
PubChem CID70094728
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name4,4-difluoropiperidine;4-fluoropiperidine
SMILESFC1(F)CCNCC1.FC1CCNCC1
InChIInChI=1S/C5H9F2N.C5H10FN/c6-5(7)1-3-8-4-2-5;6-5-1-3-7-4-2-5/h8H,1-4H2;5,7H,1-4H2
InChIKeyIXLWFKOHMMFDET-UHFFFAOYSA-N
XLogP1.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine;4-fluoropiperidine?
The IUPAC name of 4,4-difluoropiperidine;4-fluoropiperidine (CID 70094728) is 4,4-difluoropiperidine;4-fluoropiperidine.
What is the SMILES notation for 4,4-difluoropiperidine;4-fluoropiperidine?
The canonical SMILES for 4,4-difluoropiperidine;4-fluoropiperidine is FC1(F)CCNCC1.FC1CCNCC1.
What is the InChIKey of 4,4-difluoropiperidine;4-fluoropiperidine?
The InChIKey is IXLWFKOHMMFDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C5H10FN/c6-5(7)1-3-8-4-2-5;6-5-1-3-7-4-2-5/h8H,1-4H2;5,7H,1-4H2.
What are the key properties of 4,4-difluoropiperidine;4-fluoropiperidine?
4,4-difluoropiperidine;4-fluoropiperidine has a molecular weight of 224.27 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine;4-fluoropiperidine is sourced from PubChem (CID 70094728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).