3-phenyl-3-(trifluoromethyl)diaziridine

C8H7F3N2 — CID 604480

IUPAC3-phenyl-3-(trifluoromethyl)diaziridine
SMILESFC(F)(F)C1(c2ccccc2)NN1
InChIInChI=1S/C8H7F3N2/c9-8(10,11)7(12-13-7)6-4-2-1-3-5-6/h1-5,12-13H
InChIKeyIDYOLIBOFIMVHB-UHFFFAOYSA-N
MW188.15 g/mol
LogP1.51
Rot. Bonds1

About 3-phenyl-3-(trifluoromethyl)diaziridine

3-phenyl-3-(trifluoromethyl)diaziridine (PubChem CID 604480) has the molecular formula C8H7F3N2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 3-phenyl-3-(trifluoromethyl)diaziridine.

Molecular Properties

Compound Name3-phenyl-3-(trifluoromethyl)diaziridine
PubChem CID604480
Molecular FormulaC8H7F3N2
Molecular Weight188.15 g/mol
Exact Mass188.06
IUPAC Name3-phenyl-3-(trifluoromethyl)diaziridine
SMILESFC(F)(F)C1(c2ccccc2)NN1
InChIInChI=1S/C8H7F3N2/c9-8(10,11)7(12-13-7)6-4-2-1-3-5-6/h1-5,12-13H
InChIKeyIDYOLIBOFIMVHB-UHFFFAOYSA-N
XLogP1.51
TPSA43.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Trifluoromethyl-3-phenyldiazirine
CID 11116743
3-(4-Methylphenyl)-3-(trifluoromethyl)diaziridine
CID 11629799
3-(4-Iodophenyl)-3-(trifluoromethyl)diaziridine
CID 11716621
(2,2,2-Trifluoro-1-phenylethyl)hydrazine
CID 18938887
[Difluoro-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 67695258
3-(4-Fluorophenyl)-3-(trifluoromethyl)-3H-diazirine
CID 133062094
3-(4-Chlorophenyl)-3-(trifluoromethyl)diaziridine
CID 90762050
3-Fluoromethyl-3-phenyldiazirine
CID 129817263
[3,3,3-Trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride
CID 164677806
3-Methyl-3-benzyldiaziridine
CID 257425
3-Phenyldiaziridine
CID 13774932
(4-(Trifluoromethyl)benzyl)hydrazine
CID 52973

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(trifluoromethyl)diaziridine?
The IUPAC name of 3-phenyl-3-(trifluoromethyl)diaziridine (CID 604480) is 3-phenyl-3-(trifluoromethyl)diaziridine.
What is the SMILES notation for 3-phenyl-3-(trifluoromethyl)diaziridine?
The canonical SMILES for 3-phenyl-3-(trifluoromethyl)diaziridine is FC(F)(F)C1(c2ccccc2)NN1.
What is the InChIKey of 3-phenyl-3-(trifluoromethyl)diaziridine?
The InChIKey is IDYOLIBOFIMVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2/c9-8(10,11)7(12-13-7)6-4-2-1-3-5-6/h1-5,12-13H.
What are the key properties of 3-phenyl-3-(trifluoromethyl)diaziridine?
3-phenyl-3-(trifluoromethyl)diaziridine has a molecular weight of 188.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(trifluoromethyl)diaziridine is sourced from PubChem (CID 604480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).