1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one

C11H19F2NO — CID 176833053

IUPAC1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCC(C(F)F)NC1
InChIInChI=1S/C11H19F2NO/c1-11(2,3)9(15)7-4-5-8(10(12)13)14-6-7/h7-8,10,14H,4-6H2,1-3H3
InChIKeyFCKFNSFLKDKRIJ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.23
Rot. Bonds2

About 1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one

1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one (PubChem CID 176833053) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
PubChem CID176833053
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCC(C(F)F)NC1
InChIInChI=1S/C11H19F2NO/c1-11(2,3)9(15)7-4-5-8(10(12)13)14-6-7/h7-8,10,14H,4-6H2,1-3H3
InChIKeyFCKFNSFLKDKRIJ-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one (CID 176833053) is 1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCC(C(F)F)NC1.
What is the InChIKey of 1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
The InChIKey is FCKFNSFLKDKRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-11(2,3)9(15)7-4-5-8(10(12)13)14-6-7/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one has a molecular weight of 219.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176833053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).