(2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid

C5H5F4NO2 — CID 118577900

IUPAC(2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC(F)(F)C1(F)F
InChIInChI=1S/C5H5F4NO2/c6-4(7)1-10-2(3(11)12)5(4,8)9/h2,10H,1H2,(H,11,12)/t2-/m1/s1
InChIKeyZHPFNKPLNFPNMG-UWTATZPHSA-N
MW187.09 g/mol
LogP0.31
Rot. Bonds1

About (2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid

(2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid (PubChem CID 118577900) has the molecular formula C5H5F4NO2 and a molecular weight of 187.09 g/mol. Its IUPAC name is (2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid
PubChem CID118577900
Molecular FormulaC5H5F4NO2
Molecular Weight187.09 g/mol
Exact Mass187.03
IUPAC Name(2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC(F)(F)C1(F)F
InChIInChI=1S/C5H5F4NO2/c6-4(7)1-10-2(3(11)12)5(4,8)9/h2,10H,1H2,(H,11,12)/t2-/m1/s1
InChIKeyZHPFNKPLNFPNMG-UWTATZPHSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.09
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid (CID 118577900) is (2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NCC(F)(F)C1(F)F.
What is the InChIKey of (2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid?
The InChIKey is ZHPFNKPLNFPNMG-UWTATZPHSA-N. The full InChI is InChI=1S/C5H5F4NO2/c6-4(7)1-10-2(3(11)12)5(4,8)9/h2,10H,1H2,(H,11,12)/t2-/m1/s1.
What are the key properties of (2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid?
(2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid has a molecular weight of 187.09 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118577900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).