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

C6H3F8NO2 — CID 23370839

IUPAC2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid
SMILESO=C(O)CN1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3F8NO2/c7-3(8)4(9,10)6(13,14)15(1-2(16)17)5(3,11)12/h1H2,(H,16,17)
InChIKeyJWJIDWUPFZGXNR-UHFFFAOYSA-N
MW273.08 g/mol
LogP1.84
Rot. Bonds2

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

2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid (PubChem CID 23370839) has the molecular formula C6H3F8NO2 and a molecular weight of 273.08 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid
PubChem CID23370839
Molecular FormulaC6H3F8NO2
Molecular Weight273.08 g/mol
Exact Mass273.00
IUPAC Name2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid
SMILESO=C(O)CN1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3F8NO2/c7-3(8)4(9,10)6(13,14)15(1-2(16)17)5(3,11)12/h1H2,(H,16,17)
InChIKeyJWJIDWUPFZGXNR-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.84
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-octafluoropyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid (CID 23370839) is 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid is O=C(O)CN1C(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-octafluoropyrrolidin-1-yl)acetic acid?
The InChIKey is JWJIDWUPFZGXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F8NO2/c7-3(8)4(9,10)6(13,14)15(1-2(16)17)5(3,11)12/h1H2,(H,16,17).
What are the key properties of 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid?
2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid has a molecular weight of 273.08 g/mol, XLogP of 1.84, 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-octafluoropyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 23370839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).