2-(4,4-difluoropiperidin-3-yl)acetamide

C7H12F2N2O — CID 166667357

IUPAC2-(4,4-difluoropiperidin-3-yl)acetamide
SMILESNC(=O)CC1CNCCC1(F)F
InChIInChI=1S/C7H12F2N2O/c8-7(9)1-2-11-4-5(7)3-6(10)12/h5,11H,1-4H2,(H2,10,12)
InChIKeyZFBBRICUIZTHBT-UHFFFAOYSA-N
MW178.18 g/mol
LogP0.11
Rot. Bonds2

About 2-(4,4-difluoropiperidin-3-yl)acetamide

2-(4,4-difluoropiperidin-3-yl)acetamide (PubChem CID 166667357) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-3-yl)acetamide
PubChem CID166667357
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name2-(4,4-difluoropiperidin-3-yl)acetamide
SMILESNC(=O)CC1CNCCC1(F)F
InChIInChI=1S/C7H12F2N2O/c8-7(9)1-2-11-4-5(7)3-6(10)12/h5,11H,1-4H2,(H2,10,12)
InChIKeyZFBBRICUIZTHBT-UHFFFAOYSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-3-yl)acetamide?
The IUPAC name of 2-(4,4-difluoropiperidin-3-yl)acetamide (CID 166667357) is 2-(4,4-difluoropiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-3-yl)acetamide is NC(=O)CC1CNCCC1(F)F.
What is the InChIKey of 2-(4,4-difluoropiperidin-3-yl)acetamide?
The InChIKey is ZFBBRICUIZTHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c8-7(9)1-2-11-4-5(7)3-6(10)12/h5,11H,1-4H2,(H2,10,12).
What are the key properties of 2-(4,4-difluoropiperidin-3-yl)acetamide?
2-(4,4-difluoropiperidin-3-yl)acetamide has a molecular weight of 178.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-3-yl)acetamide is sourced from PubChem (CID 166667357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).