4,4-difluoro-6-methylpiperidin-3-one

C6H9F2NO — CID 129208068

IUPAC4,4-difluoro-6-methylpiperidin-3-one
SMILESCC1CC(F)(F)C(=O)CN1
InChIInChI=1S/C6H9F2NO/c1-4-2-6(7,8)5(10)3-9-4/h4,9H,2-3H2,1H3
InChIKeySKESKGJPNSODMA-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.57
Rot. Bonds

About 4,4-difluoro-6-methylpiperidin-3-one

4,4-difluoro-6-methylpiperidin-3-one (PubChem CID 129208068) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 4,4-difluoro-6-methylpiperidin-3-one.

Molecular Properties

Compound Name4,4-difluoro-6-methylpiperidin-3-one
PubChem CID129208068
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name4,4-difluoro-6-methylpiperidin-3-one
SMILESCC1CC(F)(F)C(=O)CN1
InChIInChI=1S/C6H9F2NO/c1-4-2-6(7,8)5(10)3-9-4/h4,9H,2-3H2,1H3
InChIKeySKESKGJPNSODMA-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-Piperidin-2-yl]ethan-1-one
CID 10879277
2-Acetylpiperidine
CID 558520
2-Methylpiperidin-3-one
CID 56972713
2-Amino-2-(difluoromethyl)piperidin-3-one
CID 19757686
2-(Difluoromethyl)piperidin-3-one
CID 54551227
2-(Trifluoromethyl)piperidin-4-one
CID 66524899
2-(1,1,2-Trifluoroethyl)piperidin-4-one
CID 69129130
2-(2,2,2-Trifluoroethyl)piperidin-4-one
CID 69129132
2-(1,2,2-Trifluoroethyl)piperidin-4-one
CID 69129133
2-Methylpiperidin-3-one;2,2,2-trifluoroacetic acid
CID 69799979
5,6-Difluoropiperidin-3-one
CID 90421506
1-(2-Fluoropiperidin-2-yl)ethanone
CID 91044731

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6-methylpiperidin-3-one?
The IUPAC name of 4,4-difluoro-6-methylpiperidin-3-one (CID 129208068) is 4,4-difluoro-6-methylpiperidin-3-one.
What is the SMILES notation for 4,4-difluoro-6-methylpiperidin-3-one?
The canonical SMILES for 4,4-difluoro-6-methylpiperidin-3-one is CC1CC(F)(F)C(=O)CN1.
What is the InChIKey of 4,4-difluoro-6-methylpiperidin-3-one?
The InChIKey is SKESKGJPNSODMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-4-2-6(7,8)5(10)3-9-4/h4,9H,2-3H2,1H3.
What are the key properties of 4,4-difluoro-6-methylpiperidin-3-one?
4,4-difluoro-6-methylpiperidin-3-one has a molecular weight of 149.14 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6-methylpiperidin-3-one is sourced from PubChem (CID 129208068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).