3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine

C14H10BrF3N2 — CID 132942830

IUPAC3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine
SMILESFC(F)(F)C1(c2ccc(-c3ccc(Br)cc3)cc2)NN1
InChIInChI=1S/C14H10BrF3N2/c15-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(19-20-13)14(16,17)18/h1-8,19-20H
InChIKeyCFPFEVDNEDOEIN-UHFFFAOYSA-N
MW343.15 g/mol
LogP3.94
Rot. Bonds2

About 3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine

3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine (PubChem CID 132942830) has the molecular formula C14H10BrF3N2 and a molecular weight of 343.15 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine
PubChem CID132942830
Molecular FormulaC14H10BrF3N2
Molecular Weight343.15 g/mol
Exact Mass342.00
IUPAC Name3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine
SMILESFC(F)(F)C1(c2ccc(-c3ccc(Br)cc3)cc2)NN1
InChIInChI=1S/C14H10BrF3N2/c15-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(19-20-13)14(16,17)18/h1-8,19-20H
InChIKeyCFPFEVDNEDOEIN-UHFFFAOYSA-N
XLogP3.94
TPSA43.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 53.94
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

4-[3-(trifluoromethyl)diaziridin-3-yl]aniline
CID 90296805
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole
CID 141371872
2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
CID 86257544
1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene
CID 89447294
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
[4-(4-bromophenyl)phenyl]-trimethylsilane
CID 15749307
1-bromo-4-[4-(difluoromethyl)phenyl]benzene
CID 85090252
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane
CID 156576322
(3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline
CID 172643146

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine?
The IUPAC name of 3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine (CID 132942830) is 3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine.
What is the SMILES notation for 3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine?
The canonical SMILES for 3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine is FC(F)(F)C1(c2ccc(-c3ccc(Br)cc3)cc2)NN1.
What is the InChIKey of 3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine?
The InChIKey is CFPFEVDNEDOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2/c15-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(19-20-13)14(16,17)18/h1-8,19-20H.
What are the key properties of 3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine?
3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine has a molecular weight of 343.15 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine is sourced from PubChem (CID 132942830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).