4,4-difluoropiperidin-1-amine

C5H10F2N2 — CID 53404070

IUPAC4,4-difluoropiperidin-1-amine
SMILESNN1CCC(F)(F)CC1
InChIInChI=1S/C5H10F2N2/c6-5(7)1-3-9(8)4-2-5/h1-4,8H2
InChIKeyITVFCJREXKUDDU-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.59
Rot. Bonds

About 4,4-difluoropiperidin-1-amine

4,4-difluoropiperidin-1-amine (PubChem CID 53404070) has the molecular formula C5H10F2N2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 4,4-difluoropiperidin-1-amine.

Molecular Properties

Compound Name4,4-difluoropiperidin-1-amine
PubChem CID53404070
Molecular FormulaC5H10F2N2
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name4,4-difluoropiperidin-1-amine
SMILESNN1CCC(F)(F)CC1
InChIInChI=1S/C5H10F2N2/c6-5(7)1-3-9(8)4-2-5/h1-4,8H2
InChIKeyITVFCJREXKUDDU-UHFFFAOYSA-N
XLogP0.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 4,4-difluoropiperidin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidin-1-amine?
The IUPAC name of 4,4-difluoropiperidin-1-amine (CID 53404070) is 4,4-difluoropiperidin-1-amine.
What is the SMILES notation for 4,4-difluoropiperidin-1-amine?
The canonical SMILES for 4,4-difluoropiperidin-1-amine is NN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoropiperidin-1-amine?
The InChIKey is ITVFCJREXKUDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c6-5(7)1-3-9(8)4-2-5/h1-4,8H2.
What are the key properties of 4,4-difluoropiperidin-1-amine?
4,4-difluoropiperidin-1-amine has a molecular weight of 136.15 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidin-1-amine is sourced from PubChem (CID 53404070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).