2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid

C7H3F10NO2 — CID 23370829

IUPAC2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid
SMILESO=C(O)CN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F10NO2/c8-3(9)4(10,11)6(14,15)18(1-2(19)20)7(16,17)5(3,12)13/h1H2,(H,19,20)
InChIKeyVKIFQHWVPZUCLL-UHFFFAOYSA-N
MW323.09 g/mol
LogP2.48
Rot. Bonds2

About 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid

2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid (PubChem CID 23370829) has the molecular formula C7H3F10NO2 and a molecular weight of 323.09 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid
PubChem CID23370829
Molecular FormulaC7H3F10NO2
Molecular Weight323.09 g/mol
Exact Mass323.00
IUPAC Name2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid
SMILESO=C(O)CN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F10NO2/c8-3(9)4(10,11)6(14,15)18(1-2(19)20)7(16,17)5(3,12)13/h1H2,(H,19,20)
InChIKeyVKIFQHWVPZUCLL-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid?
The IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid (CID 23370829) is 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid is O=C(O)CN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid?
The InChIKey is VKIFQHWVPZUCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F10NO2/c8-3(9)4(10,11)6(14,15)18(1-2(19)20)7(16,17)5(3,12)13/h1H2,(H,19,20).
What are the key properties of 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid?
2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid has a molecular weight of 323.09 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetic acid is sourced from PubChem (CID 23370829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).