[6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane

C24H28FGeN — CID 156657591

IUPAC[6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(CC(C)C)c([Ge](C)(C)c3ccccc3)cn2)c(F)c1
InChIInChI=1S/C24H28FGeN/c1-17(2)13-19-15-24(21-12-11-18(3)14-22(21)25)27-16-23(19)26(4,5)20-9-7-6-8-10-20/h6-12,14-17H,13H2,1-5H3/i3D3
InChIKeyRUFKQTHSWOSPKV-HPRDVNIFSA-N
MW425.12 g/mol
LogP5.22
Rot. Bonds6

About [6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane

[6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane (PubChem CID 156657591) has the molecular formula C24H28FGeN and a molecular weight of 425.12 g/mol. Its IUPAC name is [6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane.

Molecular Properties

Compound Name[6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane
PubChem CID156657591
Molecular FormulaC24H28FGeN
Molecular Weight425.12 g/mol
Exact Mass426.16
IUPAC Name[6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(CC(C)C)c([Ge](C)(C)c3ccccc3)cn2)c(F)c1
InChIInChI=1S/C24H28FGeN/c1-17(2)13-19-15-24(21-12-11-18(3)14-22(21)25)27-16-23(19)26(4,5)20-9-7-6-8-10-20/h6-12,14-17H,13H2,1-5H3/i3D3
InChIKeyRUFKQTHSWOSPKV-HPRDVNIFSA-N
XLogP5.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.12
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane?
The IUPAC name of [6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane (CID 156657591) is [6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane.
What is the SMILES notation for [6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane?
The canonical SMILES for [6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane is [2H]C([2H])([2H])c1ccc(-c2cc(CC(C)C)c([Ge](C)(C)c3ccccc3)cn2)c(F)c1.
What is the InChIKey of [6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane?
The InChIKey is RUFKQTHSWOSPKV-HPRDVNIFSA-N. The full InChI is InChI=1S/C24H28FGeN/c1-17(2)13-19-15-24(21-12-11-18(3)14-22(21)25)27-16-23(19)26(4,5)20-9-7-6-8-10-20/h6-12,14-17H,13H2,1-5H3/i3D3.
What are the key properties of [6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane?
[6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane has a molecular weight of 425.12 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-fluoro-4-(trideuteriomethyl)phenyl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane is sourced from PubChem (CID 156657591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).