1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene

C13H10 — CID 6913203

IUPAC1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2([2H])[2H]
InChIInChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D2
InChIKeyNIHNNTQXNPWCJQ-QNNBDYQESA-N
MW176.28 g/mol
LogP3.26
Rot. Bonds

About 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene

1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene (PubChem CID 6913203) has the molecular formula C13H10 and a molecular weight of 176.28 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene
PubChem CID6913203
Molecular FormulaC13H10
Molecular Weight176.28 g/mol
Exact Mass176.14
IUPAC Name1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2([2H])[2H]
InChIInChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D2
InChIKeyNIHNNTQXNPWCJQ-QNNBDYQESA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene?
The IUPAC name of 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene (CID 6913203) is 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2([2H])[2H].
What is the InChIKey of 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene?
The InChIKey is NIHNNTQXNPWCJQ-QNNBDYQESA-N. The full InChI is InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D2.
What are the key properties of 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene?
1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene has a molecular weight of 176.28 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene is sourced from PubChem (CID 6913203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).