4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine

C10H11ClF2N2 — CID 71650563

IUPAC4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine
SMILESFC(F)C1NNC(c2ccccc2)C1Cl
InChIInChI=1S/C10H11ClF2N2/c11-7-8(6-4-2-1-3-5-6)14-15-9(7)10(12)13/h1-5,7-10,14-15H
InChIKeyDSUBKJWWHLYLOX-UHFFFAOYSA-N
MW232.66 g/mol
LogP2.08
Rot. Bonds2

About 4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine

4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine (PubChem CID 71650563) has the molecular formula C10H11ClF2N2 and a molecular weight of 232.66 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine
PubChem CID71650563
Molecular FormulaC10H11ClF2N2
Molecular Weight232.66 g/mol
Exact Mass232.06
IUPAC Name4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine
SMILESFC(F)C1NNC(c2ccccc2)C1Cl
InChIInChI=1S/C10H11ClF2N2/c11-7-8(6-4-2-1-3-5-6)14-15-9(7)10(12)13/h1-5,7-10,14-15H
InChIKeyDSUBKJWWHLYLOX-UHFFFAOYSA-N
XLogP2.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine?
The IUPAC name of 4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine (CID 71650563) is 4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine is FC(F)C1NNC(c2ccccc2)C1Cl.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine?
The InChIKey is DSUBKJWWHLYLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2/c11-7-8(6-4-2-1-3-5-6)14-15-9(7)10(12)13/h1-5,7-10,14-15H.
What are the key properties of 4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine?
4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine has a molecular weight of 232.66 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine is sourced from PubChem (CID 71650563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).