4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine

C10H10BrF3N2 — CID 71651308

IUPAC4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine
SMILESFC(F)(F)C1NNC(c2ccccc2)C1Br
InChIInChI=1S/C10H10BrF3N2/c11-7-8(6-4-2-1-3-5-6)15-16-9(7)10(12,13)14/h1-5,7-9,15-16H
InChIKeyRDNFKEOKFVBYTJ-UHFFFAOYSA-N
MW295.10 g/mol
LogP2.53
Rot. Bonds1

About 4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine

4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine (PubChem CID 71651308) has the molecular formula C10H10BrF3N2 and a molecular weight of 295.10 g/mol. Its IUPAC name is 4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine.

Molecular Properties

Compound Name4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine
PubChem CID71651308
Molecular FormulaC10H10BrF3N2
Molecular Weight295.10 g/mol
Exact Mass294.00
IUPAC Name4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine
SMILESFC(F)(F)C1NNC(c2ccccc2)C1Br
InChIInChI=1S/C10H10BrF3N2/c11-7-8(6-4-2-1-3-5-6)15-16-9(7)10(12,13)14/h1-5,7-9,15-16H
InChIKeyRDNFKEOKFVBYTJ-UHFFFAOYSA-N
XLogP2.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 52.53
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-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine?
The IUPAC name of 4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine (CID 71651308) is 4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine.
What is the SMILES notation for 4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine?
The canonical SMILES for 4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine is FC(F)(F)C1NNC(c2ccccc2)C1Br.
What is the InChIKey of 4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine?
The InChIKey is RDNFKEOKFVBYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2/c11-7-8(6-4-2-1-3-5-6)15-16-9(7)10(12,13)14/h1-5,7-9,15-16H.
What are the key properties of 4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine?
4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine has a molecular weight of 295.10 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine is sourced from PubChem (CID 71651308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).