3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate

C11H17F2NO3 — CID 146558253

IUPAC3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate
SMILESCC(OC(=O)CC1CCC(=O)NC1)C(C)(F)F
InChIInChI=1S/C11H17F2NO3/c1-7(11(2,12)13)17-10(16)5-8-3-4-9(15)14-6-8/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyDRTKXMYMDGEXSD-UHFFFAOYSA-N
MW249.26 g/mol
LogP1.49
Rot. Bonds4

About 3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate

3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate (PubChem CID 146558253) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate.

Molecular Properties

Compound Name3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate
PubChem CID146558253
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate
SMILESCC(OC(=O)CC1CCC(=O)NC1)C(C)(F)F
InChIInChI=1S/C11H17F2NO3/c1-7(11(2,12)13)17-10(16)5-8-3-4-9(15)14-6-8/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyDRTKXMYMDGEXSD-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propan-2-yl 2-(piperidin-3-yl)acetate hydrochloride
CID 75480787
Ethyl2,2-difluoro-3-(piperidin-4-yl)propanoatehydrochloride
CID 165750308
methyl (3S)-5-methyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]hexanoate
CID 162406055
Tert-butyl 4-[(2,2-difluoro-4-methylhexanoyl)amino]butanoate
CID 89018944
tert-Butyl 2-(4,4-difluoropiperidin-3-yl)acetate
CID 115040712
Butyl 2-methyl-6-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 117730103
Butyl 2-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 117937240
Methyl 2-(5,5-difluoropiperidin-3-yl)acetate
CID 130812659
ethyl 2-[(3R)-3-fluoro-2-oxopiperidin-3-yl]acetate
CID 144270395
1,1-Difluoro-2-[2-(6-oxopiperidin-3-yl)acetyl]oxypropane-1-sulfonic acid
CID 146558257
3,3-Difluorobutan-2-yl 2-[1-(cyclopropanecarbonyl)-6-oxopiperidin-3-yl]acetate
CID 146558258
tert-butyl (3S)-3-(2,2,2-trifluoroethylcarbamoyl)hexanoate
CID 147131952

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate?
The IUPAC name of 3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate (CID 146558253) is 3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate.
What is the SMILES notation for 3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate?
The canonical SMILES for 3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate is CC(OC(=O)CC1CCC(=O)NC1)C(C)(F)F.
What is the InChIKey of 3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate?
The InChIKey is DRTKXMYMDGEXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3/c1-7(11(2,12)13)17-10(16)5-8-3-4-9(15)14-6-8/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate?
3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate has a molecular weight of 249.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorobutan-2-yl 2-(6-oxopiperidin-3-yl)acetate is sourced from PubChem (CID 146558253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).