5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol

C16H11F3N2O2 — CID 118481918

IUPAC5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(C=C(c2ccccc2)C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)15(20-21-15)14(11-4-2-1-3-5-11)8-10-6-12(22)9-13(23)7-10/h1-9,22-23H
InChIKeyZFWOJZJOBBGHJQ-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.36
Rot. Bonds3

About 5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol

5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol (PubChem CID 118481918) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol
PubChem CID118481918
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(C=C(c2ccccc2)C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)15(20-21-15)14(11-4-2-1-3-5-11)8-10-6-12(22)9-13(23)7-10/h1-9,22-23H
InChIKeyZFWOJZJOBBGHJQ-UHFFFAOYSA-N
XLogP4.36
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol (CID 118481918) is 5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol is Oc1cc(O)cc(C=C(c2ccccc2)C2(C(F)(F)F)N=N2)c1.
What is the InChIKey of 5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol?
The InChIKey is ZFWOJZJOBBGHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)15(20-21-15)14(11-4-2-1-3-5-11)8-10-6-12(22)9-13(23)7-10/h1-9,22-23H.
What are the key properties of 5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol?
5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol has a molecular weight of 320.27 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol is sourced from PubChem (CID 118481918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).