1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one

C11H20FNO — CID 90176647

IUPAC1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one
SMILESCC1(C)CN(C(C)(C)C)CC(F)C1=O
InChIInChI=1S/C11H20FNO/c1-10(2,3)13-6-8(12)9(14)11(4,5)7-13/h8H,6-7H2,1-5H3
InChIKeyIGGVNYXYLHHDJN-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.03
Rot. Bonds

About 1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one

1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one (PubChem CID 90176647) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one
PubChem CID90176647
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one
SMILESCC1(C)CN(C(C)(C)C)CC(F)C1=O
InChIInChI=1S/C11H20FNO/c1-10(2,3)13-6-8(12)9(14)11(4,5)7-13/h8H,6-7H2,1-5H3
InChIKeyIGGVNYXYLHHDJN-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one?
The IUPAC name of 1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one (CID 90176647) is 1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one is CC1(C)CN(C(C)(C)C)CC(F)C1=O.
What is the InChIKey of 1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one?
The InChIKey is IGGVNYXYLHHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-10(2,3)13-6-8(12)9(14)11(4,5)7-13/h8H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one?
1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one has a molecular weight of 201.28 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one is sourced from PubChem (CID 90176647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).