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

C8H13F2NO2 — CID 83853591

IUPAC3-(4,4-difluoropiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO2/c9-8(10)2-5-11(6-3-8)4-1-7(12)13/h1-6H2,(H,12,13)
InChIKeyURYZFAYHQDJTDY-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.19
Rot. Bonds3

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

3-(4,4-difluoropiperidin-1-yl)propanoic acid (PubChem CID 83853591) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)propanoic acid
PubChem CID83853591
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3-(4,4-difluoropiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO2/c9-8(10)2-5-11(6-3-8)4-1-7(12)13/h1-6H2,(H,12,13)
InChIKeyURYZFAYHQDJTDY-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)propanoic acid (CID 83853591) is 3-(4,4-difluoropiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)propanoic acid is O=C(O)CCN1CCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)propanoic acid?
The InChIKey is URYZFAYHQDJTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)2-5-11(6-3-8)4-1-7(12)13/h1-6H2,(H,12,13).
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)propanoic acid?
3-(4,4-difluoropiperidin-1-yl)propanoic acid has a molecular weight of 193.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)propanoic acid is sourced from PubChem (CID 83853591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).