5-(1,1-difluoropropyl)-3-methylpiperidin-2-one

C9H15F2NO — CID 178159653

IUPAC5-(1,1-difluoropropyl)-3-methylpiperidin-2-one
SMILESCCC(F)(F)C1CNC(=O)C(C)C1
InChIInChI=1S/C9H15F2NO/c1-3-9(10,11)7-4-6(2)8(13)12-5-7/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeySKCOAGHZSWEKDJ-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.80
Rot. Bonds2

About 5-(1,1-difluoropropyl)-3-methylpiperidin-2-one

5-(1,1-difluoropropyl)-3-methylpiperidin-2-one (PubChem CID 178159653) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-3-methylpiperidin-2-one
PubChem CID178159653
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name5-(1,1-difluoropropyl)-3-methylpiperidin-2-one
SMILESCCC(F)(F)C1CNC(=O)C(C)C1
InChIInChI=1S/C9H15F2NO/c1-3-9(10,11)7-4-6(2)8(13)12-5-7/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeySKCOAGHZSWEKDJ-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-5-(trifluoromethyl)piperidin-2-one
CID 178159652
3-methyl-4-pentan-3-ylpyrrolidin-2-one
CID 130855793
trans-(2R,6R)-4-tert-butyl-2,6-dimethylcyclohexan-1-one
CID 102330787
5-methyl-2-oxopiperidine-3-carbaldehyde
CID 130136468
3-iodo-5-methylpiperidine-2,6-dione
CID 170011464
ethane;3-methylazepan-2-one;propane
CID 142177771
5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione
CID 106433160
3-(ethylamino)azetidin-2-one
CID 123769007
3-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-one
CID 123361541
(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 131851987
5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one
CID 178068575
(5S)-3-[(6-aminopyridazin-3-yl)methyl]-5-(trifluoromethyl)piperidin-2-one
CID 170340156

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-3-methylpiperidin-2-one?
The IUPAC name of 5-(1,1-difluoropropyl)-3-methylpiperidin-2-one (CID 178159653) is 5-(1,1-difluoropropyl)-3-methylpiperidin-2-one.
What is the SMILES notation for 5-(1,1-difluoropropyl)-3-methylpiperidin-2-one?
The canonical SMILES for 5-(1,1-difluoropropyl)-3-methylpiperidin-2-one is CCC(F)(F)C1CNC(=O)C(C)C1.
What is the InChIKey of 5-(1,1-difluoropropyl)-3-methylpiperidin-2-one?
The InChIKey is SKCOAGHZSWEKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-3-9(10,11)7-4-6(2)8(13)12-5-7/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 5-(1,1-difluoropropyl)-3-methylpiperidin-2-one?
5-(1,1-difluoropropyl)-3-methylpiperidin-2-one has a molecular weight of 191.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-3-methylpiperidin-2-one is sourced from PubChem (CID 178159653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).