2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol

C12H8F2O — CID 171394624

IUPAC2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol
SMILES[2H]c1c([2H])c(-c2ccc(F)cc2F)c([2H])c([2H])c1O
InChIInChI=1S/C12H8F2O/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H/i1D,2D,4D,5D
InChIKeyASOVDRYKVVVCIA-GYABSUSNSA-N
MW210.22 g/mol
LogP3.34
Rot. Bonds1

About 2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol

2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol (PubChem CID 171394624) has the molecular formula C12H8F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol
PubChem CID171394624
Molecular FormulaC12H8F2O
Molecular Weight210.22 g/mol
Exact Mass210.08
IUPAC Name2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol
SMILES[2H]c1c([2H])c(-c2ccc(F)cc2F)c([2H])c([2H])c1O
InChIInChI=1S/C12H8F2O/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H/i1D,2D,4D,5D
InChIKeyASOVDRYKVVVCIA-GYABSUSNSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol?
The IUPAC name of 2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol (CID 171394624) is 2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol is [2H]c1c([2H])c(-c2ccc(F)cc2F)c([2H])c([2H])c1O.
What is the InChIKey of 2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol?
The InChIKey is ASOVDRYKVVVCIA-GYABSUSNSA-N. The full InChI is InChI=1S/C12H8F2O/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H/i1D,2D,4D,5D.
What are the key properties of 2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol?
2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol has a molecular weight of 210.22 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-4-(2,4-difluorophenyl)phenol is sourced from PubChem (CID 171394624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).