CID 159717981

CH4BCl3Fe — CID 159717981

IUPAC—
SMILESC.Cl[Fe](Cl)Cl.[B]
InChIInChI=1S/CH4.B.3ClH.Fe/h1H4;;3*1H;/q;;;;;+3/p-3
InChIKeyUEQPTLKYLPFQFL-UHFFFAOYSA-K
MW189.06 g/mol
LogP2.32
Rot. Bonds

About CID 159717981

CID 159717981 (PubChem CID 159717981) has the molecular formula CH4BCl3Fe and a molecular weight of 189.06 g/mol.

Molecular Properties

Compound NameCID 159717981
PubChem CID159717981
Molecular FormulaCH4BCl3Fe
Molecular Weight189.06 g/mol
Exact Mass187.88
IUPAC Name—
SMILESC.Cl[Fe](Cl)Cl.[B]
InChIInChI=1S/CH4.B.3ClH.Fe/h1H4;;3*1H;/q;;;;;+3/p-3
InChIKeyUEQPTLKYLPFQFL-UHFFFAOYSA-K
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159717981?
The IUPAC name of CID 159717981 (CID 159717981) is not available.
What is the SMILES notation for CID 159717981?
The canonical SMILES for CID 159717981 is C.Cl[Fe](Cl)Cl.[B].
What is the InChIKey of CID 159717981?
The InChIKey is UEQPTLKYLPFQFL-UHFFFAOYSA-K. The full InChI is InChI=1S/CH4.B.3ClH.Fe/h1H4;;3*1H;/q;;;;;+3/p-3.
What are the key properties of CID 159717981?
CID 159717981 has a molecular weight of 189.06 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159717981 is sourced from PubChem (CID 159717981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).