3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine

C10H7F3N2 — CID 13063195

IUPAC3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine
SMILESC=Cc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C10H7F3N2/c1-2-7-3-5-8(6-4-7)9(14-15-9)10(11,12)13/h2-6H,1H2
InChIKeyCCIAONYCHHMCKK-UHFFFAOYSA-N
MW212.17 g/mol
LogP3.51
Rot. Bonds2

About 3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine

3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine (PubChem CID 13063195) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine.

Molecular Properties

Compound Name3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine
PubChem CID13063195
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine
SMILESC=Cc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C10H7F3N2/c1-2-7-3-5-8(6-4-7)9(14-15-9)10(11,12)13/h2-6H,1H2
InChIKeyCCIAONYCHHMCKK-UHFFFAOYSA-N
XLogP3.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-(bromomethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine
CID 10826496
4-(Trifluoromethyl)phenethyl azide
CID 59667498
1-(1-Azidoethyl)-4-(trifluoromethyl)benzene
CID 101480597
1-(2-Azidopropan-2-yl)-2-methyl-4-(trifluoromethyl) benzene
CID 122549957
1-(1-Azidoethyl)-2,3-difluoro-4-(trifluoromethyl) benzene
CID 122549966
3-Trifluoromethyl-3-phenyldiazirine
CID 11116743
3-(4-iodophenyl)-3-(trifluoromethyl)-3H-diazirine
CID 11674013
1-(Azidomethyl)-3-(trifluoromethyl)benzene
CID 21282668
3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine
CID 123866
3-(4-Tolyl)-3-(trifluoromethyl)diazirine
CID 137345
Benzene, (azidodifluoromethyl)-
CID 640464
3-(4-Methylphenyl)-3-(trifluoromethyl)diaziridine
CID 11629799

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine?
The IUPAC name of 3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine (CID 13063195) is 3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine.
What is the SMILES notation for 3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine?
The canonical SMILES for 3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine is C=Cc1ccc(C2(C(F)(F)F)N=N2)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine?
The InChIKey is CCIAONYCHHMCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2/c1-2-7-3-5-8(6-4-7)9(14-15-9)10(11,12)13/h2-6H,1H2.
What are the key properties of 3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine?
3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine has a molecular weight of 212.17 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylphenyl)-3-(trifluoromethyl)diazirine is sourced from PubChem (CID 13063195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).