4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid

C9H13F2NO3 — CID 150636373

IUPAC4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CC(F)(F)CCC1=O
InChIInChI=1S/C9H13F2NO3/c10-9(11)4-3-7(13)12(6-9)5-1-2-8(14)15/h1-6H2,(H,14,15)
InChIKeyIYYXCRFBKWINDL-UHFFFAOYSA-N
MW221.20 g/mol
LogP1.11
Rot. Bonds4

About 4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid

4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid (PubChem CID 150636373) has the molecular formula C9H13F2NO3 and a molecular weight of 221.20 g/mol. Its IUPAC name is 4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid
PubChem CID150636373
Molecular FormulaC9H13F2NO3
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC Name4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CC(F)(F)CCC1=O
InChIInChI=1S/C9H13F2NO3/c10-9(11)4-3-7(13)12(6-9)5-1-2-8(14)15/h1-6H2,(H,14,15)
InChIKeyIYYXCRFBKWINDL-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid (CID 150636373) is 4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid is O=C(O)CCCN1CC(F)(F)CCC1=O.
What is the InChIKey of 4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid?
The InChIKey is IYYXCRFBKWINDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3/c10-9(11)4-3-7(13)12(6-9)5-1-2-8(14)15/h1-6H2,(H,14,15).
What are the key properties of 4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid?
4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid has a molecular weight of 221.20 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-difluoro-2-oxopiperidin-1-yl)butanoic acid is sourced from PubChem (CID 150636373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).