3,3-difluoro-1-methylpiperidin-2-one

C6H9F2NO — CID 145310126

IUPAC3,3-difluoro-1-methylpiperidin-2-one
SMILESCN1CCCC(F)(F)C1=O
InChIInChI=1S/C6H9F2NO/c1-9-4-2-3-6(7,8)5(9)10/h2-4H2,1H3
InChIKeyQNYHEFBWVMHTCK-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.87
Rot. Bonds

About 3,3-difluoro-1-methylpiperidin-2-one

3,3-difluoro-1-methylpiperidin-2-one (PubChem CID 145310126) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpiperidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-1-methylpiperidin-2-one
PubChem CID145310126
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name3,3-difluoro-1-methylpiperidin-2-one
SMILESCN1CCCC(F)(F)C1=O
InChIInChI=1S/C6H9F2NO/c1-9-4-2-3-6(7,8)5(9)10/h2-4H2,1H3
InChIKeyQNYHEFBWVMHTCK-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 121207625
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CID 171818916
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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpiperidin-2-one?
The IUPAC name of 3,3-difluoro-1-methylpiperidin-2-one (CID 145310126) is 3,3-difluoro-1-methylpiperidin-2-one.
What is the SMILES notation for 3,3-difluoro-1-methylpiperidin-2-one?
The canonical SMILES for 3,3-difluoro-1-methylpiperidin-2-one is CN1CCCC(F)(F)C1=O.
What is the InChIKey of 3,3-difluoro-1-methylpiperidin-2-one?
The InChIKey is QNYHEFBWVMHTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-9-4-2-3-6(7,8)5(9)10/h2-4H2,1H3.
What are the key properties of 3,3-difluoro-1-methylpiperidin-2-one?
3,3-difluoro-1-methylpiperidin-2-one has a molecular weight of 149.14 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpiperidin-2-one is sourced from PubChem (CID 145310126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).