3-(2-bromophenyl)-3-(trifluoromethyl)diazirine

C8H4BrF3N2 — CID 133055914

IUPAC3-(2-bromophenyl)-3-(trifluoromethyl)diazirine
SMILESFC(F)(F)C1(c2ccccc2Br)N=N1
InChIInChI=1S/C8H4BrF3N2/c9-6-4-2-1-3-5(6)7(13-14-7)8(10,11)12/h1-4H
InChIKeyXPQMXXPOOSVJEK-UHFFFAOYSA-N
MW265.03 g/mol
LogP3.63
Rot. Bonds1

About 3-(2-bromophenyl)-3-(trifluoromethyl)diazirine

3-(2-bromophenyl)-3-(trifluoromethyl)diazirine (PubChem CID 133055914) has the molecular formula C8H4BrF3N2 and a molecular weight of 265.03 g/mol. Its IUPAC name is 3-(2-bromophenyl)-3-(trifluoromethyl)diazirine.

Molecular Properties

Compound Name3-(2-bromophenyl)-3-(trifluoromethyl)diazirine
PubChem CID133055914
Molecular FormulaC8H4BrF3N2
Molecular Weight265.03 g/mol
Exact Mass263.95
IUPAC Name3-(2-bromophenyl)-3-(trifluoromethyl)diazirine
SMILESFC(F)(F)C1(c2ccccc2Br)N=N1
InChIInChI=1S/C8H4BrF3N2/c9-6-4-2-1-3-5(6)7(13-14-7)8(10,11)12/h1-4H
InChIKeyXPQMXXPOOSVJEK-UHFFFAOYSA-N
XLogP3.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-3-(trifluoromethyl)diazirine?
The IUPAC name of 3-(2-bromophenyl)-3-(trifluoromethyl)diazirine (CID 133055914) is 3-(2-bromophenyl)-3-(trifluoromethyl)diazirine.
What is the SMILES notation for 3-(2-bromophenyl)-3-(trifluoromethyl)diazirine?
The canonical SMILES for 3-(2-bromophenyl)-3-(trifluoromethyl)diazirine is FC(F)(F)C1(c2ccccc2Br)N=N1.
What is the InChIKey of 3-(2-bromophenyl)-3-(trifluoromethyl)diazirine?
The InChIKey is XPQMXXPOOSVJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2/c9-6-4-2-1-3-5(6)7(13-14-7)8(10,11)12/h1-4H.
What are the key properties of 3-(2-bromophenyl)-3-(trifluoromethyl)diazirine?
3-(2-bromophenyl)-3-(trifluoromethyl)diazirine has a molecular weight of 265.03 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-3-(trifluoromethyl)diazirine is sourced from PubChem (CID 133055914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).