3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine

C10H9F3N2 — CID 123482396

IUPAC3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine
SMILESCCc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C10H9F3N2/c1-2-7-3-5-8(6-4-7)9(14-15-9)10(11,12)13/h3-6H,2H2,1H3
InChIKeyOWHZLGDKQFMCLX-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.43
Rot. Bonds2

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

3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine (PubChem CID 123482396) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine
PubChem CID123482396
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine
SMILESCCc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C10H9F3N2/c1-2-7-3-5-8(6-4-7)9(14-15-9)10(11,12)13/h3-6H,2H2,1H3
InChIKeyOWHZLGDKQFMCLX-UHFFFAOYSA-N
XLogP3.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.43
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
(1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine
CID 2779052
1-(4-Trifluoromethylphenyl)Ethylamine
CID 2782449
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine?
The IUPAC name of 3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine (CID 123482396) is 3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine.
What is the SMILES notation for 3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine?
The canonical SMILES for 3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine is CCc1ccc(C2(C(F)(F)F)N=N2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine?
The InChIKey is OWHZLGDKQFMCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-2-7-3-5-8(6-4-7)9(14-15-9)10(11,12)13/h3-6H,2H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine?
3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine has a molecular weight of 214.19 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-3-(trifluoromethyl)diazirine is sourced from PubChem (CID 123482396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).