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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Related Compounds

1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine
CID 155405334
1-(3,3-difluorocyclobutyl)-3-phenyl-3-(trifluoromethyl)diaziridine
CID 155405337
1-(1-adamantyl)-3-phenyl-3-(trifluoromethyl)diaziridine
CID 164935332
1-cyclopentyl-2-methyl-2-phenylpiperazine
CID 82936329
N-[(4R)-1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 41062638
2,3-diphenyl-2-(trifluoromethyl)oxolane
CID 123227157
2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344547
1-cyclopentyl-3-phenylpyrrolidin-3-ol
CID 131904194
(4aS,6R,6aS,10aS)-6-chloro-6-phenyl-1,2,3,4,4a,5,6a,7,8,9,10,10a-dodecahydrobenzo[c]quinolizine
CID 125480988
4,4,5-triphenyl-5-(trifluoromethyl)-1H-imidazole
CID 173192380
trans-(1R,2R)-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 154763399
[1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene
CID 174942326

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).