bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane

C23H30F2GeI2O2 — CID 176615622

IUPACbis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane
SMILESCc1cc(F)cc(I)c1OC[Ge](COc1c(C)cc(F)cc1I)(CC(C)C)C(C)C
InChIInChI=1S/C23H30F2GeI2O2/c1-14(2)11-26(15(3)4,12-29-22-16(5)7-18(24)9-20(22)27)13-30-23-17(6)8-19(25)10-21(23)28/h7-10,14-15H,11-13H2,1-6H3
InChIKeyABUUYQDGEMAGLU-UHFFFAOYSA-N
MW702.90 g/mol
LogP7.84
Rot. Bonds9

About bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane

bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane (PubChem CID 176615622) has the molecular formula C23H30F2GeI2O2 and a molecular weight of 702.90 g/mol. Its IUPAC name is bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane.

Molecular Properties

Compound Namebis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane
PubChem CID176615622
Molecular FormulaC23H30F2GeI2O2
Molecular Weight702.90 g/mol
Exact Mass703.95
IUPAC Namebis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane
SMILESCc1cc(F)cc(I)c1OC[Ge](COc1c(C)cc(F)cc1I)(CC(C)C)C(C)C
InChIInChI=1S/C23H30F2GeI2O2/c1-14(2)11-26(15(3)4,12-29-22-16(5)7-18(24)9-20(22)27)13-30-23-17(6)8-19(25)10-21(23)28/h7-10,14-15H,11-13H2,1-6H3
InChIKeyABUUYQDGEMAGLU-UHFFFAOYSA-N
XLogP7.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane?
The IUPAC name of bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane (CID 176615622) is bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane.
What is the SMILES notation for bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane?
The canonical SMILES for bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane is Cc1cc(F)cc(I)c1OC[Ge](COc1c(C)cc(F)cc1I)(CC(C)C)C(C)C.
What is the InChIKey of bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane?
The InChIKey is ABUUYQDGEMAGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2GeI2O2/c1-14(2)11-26(15(3)4,12-29-22-16(5)7-18(24)9-20(22)27)13-30-23-17(6)8-19(25)10-21(23)28/h7-10,14-15H,11-13H2,1-6H3.
What are the key properties of bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane?
bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane has a molecular weight of 702.90 g/mol, XLogP of 7.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-fluoro-2-iodo-6-methylphenoxy)methyl]-(2-methylpropyl)-propan-2-ylgermane is sourced from PubChem (CID 176615622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).