1-(1,2,2-trideuterioethenyl)naphthalene

C12H10 — CID 154710184

IUPAC1-(1,2,2-trideuterioethenyl)naphthalene
SMILES[2H]C([2H])=C([2H])c1cccc2ccccc12
InChIInChI=1S/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2/i1D2,2D
InChIKeyIGGDKDTUCAWDAN-FUDHJZNOSA-N
MW157.23 g/mol
LogP3.48
Rot. Bonds1

About 1-(1,2,2-trideuterioethenyl)naphthalene

1-(1,2,2-trideuterioethenyl)naphthalene (PubChem CID 154710184) has the molecular formula C12H10 and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-(1,2,2-trideuterioethenyl)naphthalene.

Molecular Properties

Compound Name1-(1,2,2-trideuterioethenyl)naphthalene
PubChem CID154710184
Molecular FormulaC12H10
Molecular Weight157.23 g/mol
Exact Mass157.10
IUPAC Name1-(1,2,2-trideuterioethenyl)naphthalene
SMILES[2H]C([2H])=C([2H])c1cccc2ccccc12
InChIInChI=1S/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2/i1D2,2D
InChIKeyIGGDKDTUCAWDAN-FUDHJZNOSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trideuterioethenyl)naphthalene?
The IUPAC name of 1-(1,2,2-trideuterioethenyl)naphthalene (CID 154710184) is 1-(1,2,2-trideuterioethenyl)naphthalene.
What is the SMILES notation for 1-(1,2,2-trideuterioethenyl)naphthalene?
The canonical SMILES for 1-(1,2,2-trideuterioethenyl)naphthalene is [2H]C([2H])=C([2H])c1cccc2ccccc12.
What is the InChIKey of 1-(1,2,2-trideuterioethenyl)naphthalene?
The InChIKey is IGGDKDTUCAWDAN-FUDHJZNOSA-N. The full InChI is InChI=1S/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2/i1D2,2D.
What are the key properties of 1-(1,2,2-trideuterioethenyl)naphthalene?
1-(1,2,2-trideuterioethenyl)naphthalene has a molecular weight of 157.23 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trideuterioethenyl)naphthalene is sourced from PubChem (CID 154710184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).