5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid

C10H10F2N2O2 — CID 53461212

IUPAC5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(F)c(F)c2)NN1
InChIInChI=1S/C10H10F2N2O2/c11-6-2-1-5(3-7(6)12)8-4-9(10(15)16)14-13-8/h1-3,8-9,13-14H,4H2,(H,15,16)
InChIKeyQFBYMYNQCJGYMB-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.96
Rot. Bonds2

About 5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid

5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid (PubChem CID 53461212) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid
PubChem CID53461212
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(F)c(F)c2)NN1
InChIInChI=1S/C10H10F2N2O2/c11-6-2-1-5(3-7(6)12)8-4-9(10(15)16)14-13-8/h1-3,8-9,13-14H,4H2,(H,15,16)
InChIKeyQFBYMYNQCJGYMB-UHFFFAOYSA-N
XLogP0.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid?
The IUPAC name of 5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid (CID 53461212) is 5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid.
What is the SMILES notation for 5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid?
The canonical SMILES for 5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid is O=C(O)C1CC(c2ccc(F)c(F)c2)NN1.
What is the InChIKey of 5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid?
The InChIKey is QFBYMYNQCJGYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c11-6-2-1-5(3-7(6)12)8-4-9(10(15)16)14-13-8/h1-3,8-9,13-14H,4H2,(H,15,16).
What are the key properties of 5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid?
5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid has a molecular weight of 228.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)pyrazolidine-3-carboxylic acid is sourced from PubChem (CID 53461212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).