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

C14H17F3N2 — CID 155405334

IUPAC1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine
SMILESFC(F)(F)C1(c2ccccc2)NN1C1CCCCC1
InChIInChI=1S/C14H17F3N2/c15-14(16,17)13(11-7-3-1-4-8-11)18-19(13)12-9-5-2-6-10-12/h1,3-4,7-8,12,18H,2,5-6,9-10H2
InChIKeyQILBURGNVYMIPW-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.55
Rot. Bonds2

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

1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine (PubChem CID 155405334) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine.

Molecular Properties

Compound Name1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine
PubChem CID155405334
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine
SMILESFC(F)(F)C1(c2ccccc2)NN1C1CCCCC1
InChIInChI=1S/C14H17F3N2/c15-14(16,17)13(11-7-3-1-4-8-11)18-19(13)12-9-5-2-6-10-12/h1,3-4,7-8,12,18H,2,5-6,9-10H2
InChIKeyQILBURGNVYMIPW-UHFFFAOYSA-N
XLogP3.55
TPSA24.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.55
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-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine?
The IUPAC name of 1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine (CID 155405334) is 1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine.
What is the SMILES notation for 1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine?
The canonical SMILES for 1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine is FC(F)(F)C1(c2ccccc2)NN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine?
The InChIKey is QILBURGNVYMIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c15-14(16,17)13(11-7-3-1-4-8-11)18-19(13)12-9-5-2-6-10-12/h1,3-4,7-8,12,18H,2,5-6,9-10H2.
What are the key properties of 1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine?
1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine has a molecular weight of 270.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine is sourced from PubChem (CID 155405334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).