3-fluoropyrrolidine-3-carboxylic acid

C5H8FNO2 — CID 55300604

IUPAC3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCNC1
InChIInChI=1S/C5H8FNO2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3H2,(H,8,9)
InChIKeyIETFKCHBHKSILW-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.23
Rot. Bonds1

About 3-fluoropyrrolidine-3-carboxylic acid

3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 55300604) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoropyrrolidine-3-carboxylic acid
PubChem CID55300604
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCNC1
InChIInChI=1S/C5H8FNO2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3H2,(H,8,9)
InChIKeyIETFKCHBHKSILW-UHFFFAOYSA-N
XLogP-0.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoropyrrolidine-3-carboxylic acid (CID 55300604) is 3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoropyrrolidine-3-carboxylic acid is O=C(O)C1(F)CCNC1.
What is the InChIKey of 3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is IETFKCHBHKSILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3H2,(H,8,9).
What are the key properties of 3-fluoropyrrolidine-3-carboxylic acid?
3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 133.12 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55300604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).