2-(3,3-difluoropiperidin-4-yl)acetic acid

C7H11F2NO2 — CID 84767753

IUPAC2-(3,3-difluoropiperidin-4-yl)acetic acid
SMILESO=C(O)CC1CCNCC1(F)F
InChIInChI=1S/C7H11F2NO2/c8-7(9)4-10-2-1-5(7)3-6(11)12/h5,10H,1-4H2,(H,11,12)
InChIKeyIXQAJCDYAJQNSL-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.71
Rot. Bonds2

About 2-(3,3-difluoropiperidin-4-yl)acetic acid

2-(3,3-difluoropiperidin-4-yl)acetic acid (PubChem CID 84767753) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-4-yl)acetic acid
PubChem CID84767753
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-(3,3-difluoropiperidin-4-yl)acetic acid
SMILESO=C(O)CC1CCNCC1(F)F
InChIInChI=1S/C7H11F2NO2/c8-7(9)4-10-2-1-5(7)3-6(11)12/h5,10H,1-4H2,(H,11,12)
InChIKeyIXQAJCDYAJQNSL-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-4-yl)acetic acid?
The IUPAC name of 2-(3,3-difluoropiperidin-4-yl)acetic acid (CID 84767753) is 2-(3,3-difluoropiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3,3-difluoropiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(3,3-difluoropiperidin-4-yl)acetic acid is O=C(O)CC1CCNCC1(F)F.
What is the InChIKey of 2-(3,3-difluoropiperidin-4-yl)acetic acid?
The InChIKey is IXQAJCDYAJQNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9)4-10-2-1-5(7)3-6(11)12/h5,10H,1-4H2,(H,11,12).
What are the key properties of 2-(3,3-difluoropiperidin-4-yl)acetic acid?
2-(3,3-difluoropiperidin-4-yl)acetic acid has a molecular weight of 179.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-4-yl)acetic acid is sourced from PubChem (CID 84767753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).