1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one

C11H19F2NO — CID 176821603

IUPAC1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCC(=O)N(CC(C)(F)F)C1
InChIInChI=1S/C11H19F2NO/c1-8(2)9-4-5-10(15)14(6-9)7-11(3,12)13/h8-9H,4-7H2,1-3H3
InChIKeyJBFQHKBZXCTMRB-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.54
Rot. Bonds3

About 1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one

1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one (PubChem CID 176821603) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one
PubChem CID176821603
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCC(=O)N(CC(C)(F)F)C1
InChIInChI=1S/C11H19F2NO/c1-8(2)9-4-5-10(15)14(6-9)7-11(3,12)13/h8-9H,4-7H2,1-3H3
InChIKeyJBFQHKBZXCTMRB-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-5-propan-2-ylpiperidin-2-one
CID 139951242
5-propan-2-yl-1-propylpiperidin-2-one
CID 139951370
1-pentadecyl-5-propan-2-ylpiperidin-2-one
CID 166871927
1-(3-bromo-2,2-dimethylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511296
2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511188
1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one
CID 106708421
1-(2,3-dihydroxypropyl)-5-propan-2-ylazepan-2-one
CID 115773415
5-tert-butyl-1-(2-methylpropyl)piperidin-2-one
CID 139951314
1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one
CID 104747788
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-[[1-(bromomethyl)cyclopropyl]methyl]-5-propan-2-ylazepan-2-one
CID 65008904
1-[2-(chloromethyl)prop-2-enyl]-5-propan-2-ylazepan-2-one
CID 103065800

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one?
The IUPAC name of 1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one (CID 176821603) is 1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one?
The canonical SMILES for 1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one is CC(C)C1CCC(=O)N(CC(C)(F)F)C1.
What is the InChIKey of 1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one?
The InChIKey is JBFQHKBZXCTMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-8(2)9-4-5-10(15)14(6-9)7-11(3,12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one?
1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one has a molecular weight of 219.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 176821603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).