tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium

C15H18F18O6Rh — CID 21456131

IUPACtris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Rh]
InChIInChI=1S/3C5H6F6O2.Rh/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*2-3,12-13H,1H2;
InChIKeyUUNVMGVMDJPOBX-UHFFFAOYSA-N
MW739.17 g/mol
LogP3.67
Rot. Bonds6

About tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium

tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium (PubChem CID 21456131) has the molecular formula C15H18F18O6Rh and a molecular weight of 739.17 g/mol. Its IUPAC name is tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium.

Molecular Properties

Compound Nametris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium
PubChem CID21456131
Molecular FormulaC15H18F18O6Rh
Molecular Weight739.17 g/mol
Exact Mass738.99
IUPAC Nametris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Rh]
InChIInChI=1S/3C5H6F6O2.Rh/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*2-3,12-13H,1H2;
InChIKeyUUNVMGVMDJPOBX-UHFFFAOYSA-N
XLogP3.67
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.17
LogP ≤ 53.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium?
The IUPAC name of tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium (CID 21456131) is tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium.
What is the SMILES notation for tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium?
The canonical SMILES for tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium is OC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.OC(CC(O)C(F)(F)F)C(F)(F)F.[Rh].
What is the InChIKey of tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium?
The InChIKey is UUNVMGVMDJPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H6F6O2.Rh/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*2-3,12-13H,1H2;.
What are the key properties of tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium?
tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium has a molecular weight of 739.17 g/mol, XLogP of 3.67, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);rhodium is sourced from PubChem (CID 21456131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).