4-(3,3-difluoropiperidin-1-yl)butanoic acid

C9H15F2NO2 — CID 116991326

IUPAC4-(3,3-difluoropiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c10-9(11)4-2-6-12(7-9)5-1-3-8(13)14/h1-7H2,(H,13,14)
InChIKeyZSHIOEBFLCSWJO-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.58
Rot. Bonds4

About 4-(3,3-difluoropiperidin-1-yl)butanoic acid

4-(3,3-difluoropiperidin-1-yl)butanoic acid (PubChem CID 116991326) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-1-yl)butanoic acid
PubChem CID116991326
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name4-(3,3-difluoropiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c10-9(11)4-2-6-12(7-9)5-1-3-8(13)14/h1-7H2,(H,13,14)
InChIKeyZSHIOEBFLCSWJO-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(3,3-difluoropiperidin-1-yl)butanoic acid (CID 116991326) is 4-(3,3-difluoropiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3,3-difluoropiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3,3-difluoropiperidin-1-yl)butanoic acid is O=C(O)CCCN1CCCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluoropiperidin-1-yl)butanoic acid?
The InChIKey is ZSHIOEBFLCSWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-9(11)4-2-6-12(7-9)5-1-3-8(13)14/h1-7H2,(H,13,14).
What are the key properties of 4-(3,3-difluoropiperidin-1-yl)butanoic acid?
4-(3,3-difluoropiperidin-1-yl)butanoic acid has a molecular weight of 207.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-1-yl)butanoic acid is sourced from PubChem (CID 116991326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).