1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one

C11H19F2NO — CID 146551408

IUPAC1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(CC(F)F)CCNCC1
InChIInChI=1S/C11H19F2NO/c1-8(2)10(15)11(7-9(12)13)3-5-14-6-4-11/h8-9,14H,3-7H2,1-2H3
InChIKeyBEADTOCQAJLJBJ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.24
Rot. Bonds4

About 1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one

1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one (PubChem CID 146551408) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one
PubChem CID146551408
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(CC(F)F)CCNCC1
InChIInChI=1S/C11H19F2NO/c1-8(2)10(15)11(7-9(12)13)3-5-14-6-4-11/h8-9,14H,3-7H2,1-2H3
InChIKeyBEADTOCQAJLJBJ-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one (CID 146551408) is 1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one is CC(C)C(=O)C1(CC(F)F)CCNCC1.
What is the InChIKey of 1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one?
The InChIKey is BEADTOCQAJLJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-8(2)10(15)11(7-9(12)13)3-5-14-6-4-11/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one?
1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one has a molecular weight of 219.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 146551408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).