3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine

C10H9F3N2O — CID 59400797

IUPAC3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine
SMILESCCOc1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C10H9F3N2O/c1-2-16-8-5-3-4-7(6-8)9(14-15-9)10(11,12)13/h3-6H,2H2,1H3
InChIKeyFJURWKTURDEMSG-UHFFFAOYSA-N
MW230.19 g/mol
LogP3.27
Rot. Bonds3

About 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine

3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine (PubChem CID 59400797) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine
PubChem CID59400797
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine
SMILESCCOc1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C10H9F3N2O/c1-2-16-8-5-3-4-7(6-8)9(14-15-9)10(11,12)13/h3-6H,2H2,1H3
InChIKeyFJURWKTURDEMSG-UHFFFAOYSA-N
XLogP3.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine?
The IUPAC name of 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine (CID 59400797) is 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine?
The canonical SMILES for 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine is CCOc1cccc(C2(C(F)(F)F)N=N2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine?
The InChIKey is FJURWKTURDEMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-2-16-8-5-3-4-7(6-8)9(14-15-9)10(11,12)13/h3-6H,2H2,1H3.
What are the key properties of 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine?
3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine has a molecular weight of 230.19 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-3-(trifluoromethyl)diazirine is sourced from PubChem (CID 59400797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).