1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one

C11H19F2NO — CID 164657439

IUPAC1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCCC(F)(F)C1
InChIInChI=1S/C11H19F2NO/c1-10(2,3)9(15)7-14-6-4-5-11(12,13)8-14/h4-8H2,1-3H3
InChIKeyBNAJQZXUPZKWAT-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.33
Rot. Bonds2

About 1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one

1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 164657439) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one
PubChem CID164657439
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCCC(F)(F)C1
InChIInChI=1S/C11H19F2NO/c1-10(2,3)9(15)7-14-6-4-5-11(12,13)8-14/h4-8H2,1-3H3
InChIKeyBNAJQZXUPZKWAT-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one (CID 164657439) is 1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is BNAJQZXUPZKWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(2,3)9(15)7-14-6-4-5-11(12,13)8-14/h4-8H2,1-3H3.
What are the key properties of 1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one?
1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 219.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 164657439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).