2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide

C9H16F2N2O — CID 134421267

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O/c1-8(2,7(12)14)13-5-3-9(10,11)4-6-13/h3-6H2,1-2H3,(H2,12,14)
InChIKeyVDXHLTZWHGAYFD-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.98
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide

2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide (PubChem CID 134421267) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide
PubChem CID134421267
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O/c1-8(2,7(12)14)13-5-3-9(10,11)4-6-13/h3-6H2,1-2H3,(H2,12,14)
InChIKeyVDXHLTZWHGAYFD-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide (CID 134421267) is 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide is CC(C)(C(N)=O)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide?
The InChIKey is VDXHLTZWHGAYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-8(2,7(12)14)13-5-3-9(10,11)4-6-13/h3-6H2,1-2H3,(H2,12,14).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide?
2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide has a molecular weight of 206.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 134421267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).