3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid

C8H11F2NO3 — CID 88977972

IUPAC3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid
SMILESC=CC(F)(F)C1(C(=O)O)CCN(O)C1
InChIInChI=1S/C8H11F2NO3/c1-2-8(9,10)7(6(12)13)3-4-11(14)5-7/h2,14H,1,3-5H2,(H,12,13)
InChIKeyMBKNNHRSYKBTHZ-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.97
Rot. Bonds3

About 3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid

3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid (PubChem CID 88977972) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid
PubChem CID88977972
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid
SMILESC=CC(F)(F)C1(C(=O)O)CCN(O)C1
InChIInChI=1S/C8H11F2NO3/c1-2-8(9,10)7(6(12)13)3-4-11(14)5-7/h2,14H,1,3-5H2,(H,12,13)
InChIKeyMBKNNHRSYKBTHZ-UHFFFAOYSA-N
XLogP0.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid (CID 88977972) is 3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid is C=CC(F)(F)C1(C(=O)O)CCN(O)C1.
What is the InChIKey of 3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid?
The InChIKey is MBKNNHRSYKBTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c1-2-8(9,10)7(6(12)13)3-4-11(14)5-7/h2,14H,1,3-5H2,(H,12,13).
What are the key properties of 3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid?
3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid has a molecular weight of 207.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroprop-2-enyl)-1-hydroxypyrrolidine-3-carboxylic acid is sourced from PubChem (CID 88977972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).