2-deuterionaphthalene

C10H8 — CID 6912029

IUPAC2-deuterionaphthalene
SMILES[2H]c1ccc2ccccc2c1
InChIInChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D
InChIKeyUFWIBTONFRDIAS-MICDWDOJSA-N
MW129.18 g/mol
LogP2.84
Rot. Bonds

About 2-deuterionaphthalene

2-deuterionaphthalene (PubChem CID 6912029) has the molecular formula C10H8 and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-deuterionaphthalene.

Molecular Properties

Compound Name2-deuterionaphthalene
PubChem CID6912029
Molecular FormulaC10H8
Molecular Weight129.18 g/mol
Exact Mass129.07
IUPAC Name2-deuterionaphthalene
SMILES[2H]c1ccc2ccccc2c1
InChIInChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D
InChIKeyUFWIBTONFRDIAS-MICDWDOJSA-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 ≤ 500129.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-deuterionaphthalene?
The IUPAC name of 2-deuterionaphthalene (CID 6912029) is 2-deuterionaphthalene.
What is the SMILES notation for 2-deuterionaphthalene?
The canonical SMILES for 2-deuterionaphthalene is [2H]c1ccc2ccccc2c1.
What is the InChIKey of 2-deuterionaphthalene?
The InChIKey is UFWIBTONFRDIAS-MICDWDOJSA-N. The full InChI is InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D.
What are the key properties of 2-deuterionaphthalene?
2-deuterionaphthalene has a molecular weight of 129.18 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 2-deuterionaphthalene is sourced from PubChem (CID 6912029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).