1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one

C9H15F2NO — CID 127053540

IUPAC1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one
SMILESCC1(C)CN(CC(F)F)CCC1=O
InChIInChI=1S/C9H15F2NO/c1-9(2)6-12(5-8(10)11)4-3-7(9)13/h8H,3-6H2,1-2H3
InChIKeyHEUSZWNFUQYHPF-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.55
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one

1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one (PubChem CID 127053540) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one
PubChem CID127053540
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one
SMILESCC1(C)CN(CC(F)F)CCC1=O
InChIInChI=1S/C9H15F2NO/c1-9(2)6-12(5-8(10)11)4-3-7(9)13/h8H,3-6H2,1-2H3
InChIKeyHEUSZWNFUQYHPF-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one (CID 127053540) is 1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one is CC1(C)CN(CC(F)F)CCC1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one?
The InChIKey is HEUSZWNFUQYHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-9(2)6-12(5-8(10)11)4-3-7(9)13/h8H,3-6H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one?
1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one has a molecular weight of 191.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,3-dimethylpiperidin-4-one is sourced from PubChem (CID 127053540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).