3-phenyl-3-(trideuteriomethyl)diazirine

C8H8N2 — CID 131846032

IUPAC3-phenyl-3-(trideuteriomethyl)diazirine
SMILES[2H]C([2H])([2H])C1(c2ccccc2)N=N1
InChIInChI=1S/C8H8N2/c1-8(9-10-8)7-5-3-2-4-6-7/h2-6H,1H3/i1D3
InChIKeyVGXNQALAVUTTAH-FIBGUPNXSA-N
MW135.18 g/mol
LogP2.33
Rot. Bonds2

About 3-phenyl-3-(trideuteriomethyl)diazirine

3-phenyl-3-(trideuteriomethyl)diazirine (PubChem CID 131846032) has the molecular formula C8H8N2 and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-phenyl-3-(trideuteriomethyl)diazirine.

Molecular Properties

Compound Name3-phenyl-3-(trideuteriomethyl)diazirine
PubChem CID131846032
Molecular FormulaC8H8N2
Molecular Weight135.18 g/mol
Exact Mass135.09
IUPAC Name3-phenyl-3-(trideuteriomethyl)diazirine
SMILES[2H]C([2H])([2H])C1(c2ccccc2)N=N1
InChIInChI=1S/C8H8N2/c1-8(9-10-8)7-5-3-2-4-6-7/h2-6H,1H3/i1D3
InChIKeyVGXNQALAVUTTAH-FIBGUPNXSA-N
XLogP2.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(trideuteriomethyl)diazirine?
The IUPAC name of 3-phenyl-3-(trideuteriomethyl)diazirine (CID 131846032) is 3-phenyl-3-(trideuteriomethyl)diazirine.
What is the SMILES notation for 3-phenyl-3-(trideuteriomethyl)diazirine?
The canonical SMILES for 3-phenyl-3-(trideuteriomethyl)diazirine is [2H]C([2H])([2H])C1(c2ccccc2)N=N1.
What is the InChIKey of 3-phenyl-3-(trideuteriomethyl)diazirine?
The InChIKey is VGXNQALAVUTTAH-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H8N2/c1-8(9-10-8)7-5-3-2-4-6-7/h2-6H,1H3/i1D3.
What are the key properties of 3-phenyl-3-(trideuteriomethyl)diazirine?
3-phenyl-3-(trideuteriomethyl)diazirine has a molecular weight of 135.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(trideuteriomethyl)diazirine is sourced from PubChem (CID 131846032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).