4-fluoro-3-phenylpyrazolidine

C9H11FN2 — CID 75297979

IUPAC4-fluoro-3-phenylpyrazolidine
SMILESFC1CNNC1c1ccccc1
InChIInChI=1S/C9H11FN2/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2
InChIKeyRSPUNJHIJAPQBR-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.17
Rot. Bonds1

About 4-fluoro-3-phenylpyrazolidine

4-fluoro-3-phenylpyrazolidine (PubChem CID 75297979) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-fluoro-3-phenylpyrazolidine.

Molecular Properties

Compound Name4-fluoro-3-phenylpyrazolidine
PubChem CID75297979
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name4-fluoro-3-phenylpyrazolidine
SMILESFC1CNNC1c1ccccc1
InChIInChI=1S/C9H11FN2/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2
InChIKeyRSPUNJHIJAPQBR-UHFFFAOYSA-N
XLogP1.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-phenylpyrazolidine?
The IUPAC name of 4-fluoro-3-phenylpyrazolidine (CID 75297979) is 4-fluoro-3-phenylpyrazolidine.
What is the SMILES notation for 4-fluoro-3-phenylpyrazolidine?
The canonical SMILES for 4-fluoro-3-phenylpyrazolidine is FC1CNNC1c1ccccc1.
What is the InChIKey of 4-fluoro-3-phenylpyrazolidine?
The InChIKey is RSPUNJHIJAPQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2.
What are the key properties of 4-fluoro-3-phenylpyrazolidine?
4-fluoro-3-phenylpyrazolidine has a molecular weight of 166.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-phenylpyrazolidine is sourced from PubChem (CID 75297979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).