1,3-dideuterionaphthalene

C10H8 — CID 140705849

IUPAC1,3-dideuterionaphthalene
SMILES[2H]c1cc([2H])c2ccccc2c1
InChIInChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,6D
InChIKeyUFWIBTONFRDIAS-UPXKZQJYSA-N
MW130.19 g/mol
LogP2.84
Rot. Bonds

About 1,3-dideuterionaphthalene

1,3-dideuterionaphthalene (PubChem CID 140705849) has the molecular formula C10H8 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,3-dideuterionaphthalene.

Molecular Properties

Compound Name1,3-dideuterionaphthalene
PubChem CID140705849
Molecular FormulaC10H8
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Name1,3-dideuterionaphthalene
SMILES[2H]c1cc([2H])c2ccccc2c1
InChIInChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,6D
InChIKeyUFWIBTONFRDIAS-UPXKZQJYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dideuterionaphthalene?
The IUPAC name of 1,3-dideuterionaphthalene (CID 140705849) is 1,3-dideuterionaphthalene.
What is the SMILES notation for 1,3-dideuterionaphthalene?
The canonical SMILES for 1,3-dideuterionaphthalene is [2H]c1cc([2H])c2ccccc2c1.
What is the InChIKey of 1,3-dideuterionaphthalene?
The InChIKey is UFWIBTONFRDIAS-UPXKZQJYSA-N. The full InChI is InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,6D.
What are the key properties of 1,3-dideuterionaphthalene?
1,3-dideuterionaphthalene has a molecular weight of 130.19 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dideuterionaphthalene is sourced from PubChem (CID 140705849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).