1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine

C13H15F3N2 — CID 155405332

IUPAC1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine
SMILESFC(F)(F)C1(c2ccccc2)NN1C1CCCC1
InChIInChI=1S/C13H15F3N2/c14-13(15,16)12(10-6-2-1-3-7-10)17-18(12)11-8-4-5-9-11/h1-3,6-7,11,17H,4-5,8-9H2
InChIKeyGPEAIQJVKRTDKB-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.16
Rot. Bonds2

About 1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine

1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine (PubChem CID 155405332) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine.

Molecular Properties

Compound Name1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine
PubChem CID155405332
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine
SMILESFC(F)(F)C1(c2ccccc2)NN1C1CCCC1
InChIInChI=1S/C13H15F3N2/c14-13(15,16)12(10-6-2-1-3-7-10)17-18(12)11-8-4-5-9-11/h1-3,6-7,11,17H,4-5,8-9H2
InChIKeyGPEAIQJVKRTDKB-UHFFFAOYSA-N
XLogP3.16
TPSA24.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine?
The IUPAC name of 1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine (CID 155405332) is 1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine.
What is the SMILES notation for 1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine?
The canonical SMILES for 1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine is FC(F)(F)C1(c2ccccc2)NN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine?
The InChIKey is GPEAIQJVKRTDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c14-13(15,16)12(10-6-2-1-3-7-10)17-18(12)11-8-4-5-9-11/h1-3,6-7,11,17H,4-5,8-9H2.
What are the key properties of 1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine?
1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine has a molecular weight of 256.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine is sourced from PubChem (CID 155405332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).