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

C12H21F2NO — CID 59553926

IUPAC1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(C)(F)F)CC1
InChIInChI=1S/C12H21F2NO/c1-11(2,3)10(16)15-7-5-9(6-8-15)12(4,13)14/h9H,5-8H2,1-4H3
InChIKeyPEAZMYJCEXMBGC-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.93
Rot. Bonds1

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

1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 59553926) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID59553926
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(C)(F)F)CC1
InChIInChI=1S/C12H21F2NO/c1-11(2,3)10(16)15-7-5-9(6-8-15)12(4,13)14/h9H,5-8H2,1-4H3
InChIKeyPEAZMYJCEXMBGC-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 59553926) is 1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(C(C)(F)F)CC1.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is PEAZMYJCEXMBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-11(2,3)10(16)15-7-5-9(6-8-15)12(4,13)14/h9H,5-8H2,1-4H3.
What are the key properties of 1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 233.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59553926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).