bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde

C10H11Cl3N2ORh — CID 175934690

IUPACbis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde
SMILESO=CC(Cl)(Cl)Cl.[Rh].c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/2C4H5N.C2HCl3O.Rh/c2*1-2-4-5-3-1;3-2(4,5)1-6;/h2*1-5H;1H;
InChIKeyRLPSRXKAEVWPTI-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.58
Rot. Bonds

About bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde

bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde (PubChem CID 175934690) has the molecular formula C10H11Cl3N2ORh and a molecular weight of 384.48 g/mol. Its IUPAC name is bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde.

Molecular Properties

Compound Namebis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde
PubChem CID175934690
Molecular FormulaC10H11Cl3N2ORh
Molecular Weight384.48 g/mol
Exact Mass382.90
IUPAC Namebis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde
SMILESO=CC(Cl)(Cl)Cl.[Rh].c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/2C4H5N.C2HCl3O.Rh/c2*1-2-4-5-3-1;3-2(4,5)1-6;/h2*1-5H;1H;
InChIKeyRLPSRXKAEVWPTI-UHFFFAOYSA-N
XLogP3.58
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;2,2,2-trichloroacetaldehyde
CID 87588357
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CID 172860524
silylsilane;hexakis(2,2,2-trichloroacetaldehyde)
CID 173161358
1H-pyrrole;tungsten
CID 160750537
iridium(3+);tris(1H-pyrrole)
CID 175787934
phosphane;1H-pyrrole;hydrobromide
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acetylene;1H-pyrrole
CID 22564394
1H-pyrrole;hydrochloride;hydrofluoride
CID 158001097
1H-pyrrole;sulfane;zinc
CID 160744760
CID 175694400
CID 175694400

Frequently Asked Questions

What is the IUPAC name of bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde?
The IUPAC name of bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde (CID 175934690) is bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde.
What is the SMILES notation for bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde?
The canonical SMILES for bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde is O=CC(Cl)(Cl)Cl.[Rh].c1cc[nH]c1.c1cc[nH]c1.
What is the InChIKey of bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde?
The InChIKey is RLPSRXKAEVWPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.C2HCl3O.Rh/c2*1-2-4-5-3-1;3-2(4,5)1-6;/h2*1-5H;1H;.
What are the key properties of bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde?
bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde has a molecular weight of 384.48 g/mol, XLogP of 3.58, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-pyrrole);rhodium;2,2,2-trichloroacetaldehyde is sourced from PubChem (CID 175934690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).