4,4-difluoropiperidin-3-amine

C5H10F2N2 — CID 86775600

IUPAC4,4-difluoropiperidin-3-amine
SMILESNC1CNCCC1(F)F
InChIInChI=1S/C5H10F2N2/c6-5(7)1-2-9-3-4(5)8/h4,9H,1-3,8H2
InChIKeyKBHLPEQCVHZLOW-UHFFFAOYSA-N
MW136.14 g/mol
LogP-0.06
Rot. Bonds

About 4,4-difluoropiperidin-3-amine

4,4-difluoropiperidin-3-amine (PubChem CID 86775600) has the molecular formula C5H10F2N2 and a molecular weight of 136.14 g/mol. Its IUPAC name is 4,4-difluoropiperidin-3-amine.

Molecular Properties

Compound Name4,4-difluoropiperidin-3-amine
PubChem CID86775600
Molecular FormulaC5H10F2N2
Molecular Weight136.14 g/mol
Exact Mass136.08
IUPAC Name4,4-difluoropiperidin-3-amine
SMILESNC1CNCCC1(F)F
InChIInChI=1S/C5H10F2N2/c6-5(7)1-2-9-3-4(5)8/h4,9H,1-3,8H2
InChIKeyKBHLPEQCVHZLOW-UHFFFAOYSA-N
XLogP-0.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidin-3-amine?
The IUPAC name of 4,4-difluoropiperidin-3-amine (CID 86775600) is 4,4-difluoropiperidin-3-amine.
What is the SMILES notation for 4,4-difluoropiperidin-3-amine?
The canonical SMILES for 4,4-difluoropiperidin-3-amine is NC1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoropiperidin-3-amine?
The InChIKey is KBHLPEQCVHZLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c6-5(7)1-2-9-3-4(5)8/h4,9H,1-3,8H2.
What are the key properties of 4,4-difluoropiperidin-3-amine?
4,4-difluoropiperidin-3-amine has a molecular weight of 136.14 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidin-3-amine is sourced from PubChem (CID 86775600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).