trichloro(113C)methane

CHCl3 — CID 10176135

IUPACtrichloro(113C)methane
SMILESCl[13CH](Cl)Cl
InChIInChI=1S/CHCl3/c2-1(3)4/h1H/i1+1
InChIKeyHEDRZPFGACZZDS-OUBTZVSYSA-N
MW120.37 g/mol
LogP1.99
Rot. Bonds

About trichloro(113C)methane

trichloro(113C)methane (PubChem CID 10176135) has the molecular formula CHCl3 and a molecular weight of 120.37 g/mol. Its IUPAC name is trichloro(113C)methane.

Molecular Properties

Compound Nametrichloro(113C)methane
PubChem CID10176135
Molecular FormulaCHCl3
Molecular Weight120.37 g/mol
Exact Mass118.92
IUPAC Nametrichloro(113C)methane
SMILESCl[13CH](Cl)Cl
InChIInChI=1S/CHCl3/c2-1(3)4/h1H/i1+1
InChIKeyHEDRZPFGACZZDS-OUBTZVSYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro(113C)methane?
The IUPAC name of trichloro(113C)methane (CID 10176135) is trichloro(113C)methane.
What is the SMILES notation for trichloro(113C)methane?
The canonical SMILES for trichloro(113C)methane is Cl[13CH](Cl)Cl.
What is the InChIKey of trichloro(113C)methane?
The InChIKey is HEDRZPFGACZZDS-OUBTZVSYSA-N. The full InChI is InChI=1S/CHCl3/c2-1(3)4/h1H/i1+1.
What are the key properties of trichloro(113C)methane?
trichloro(113C)methane has a molecular weight of 120.37 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(113C)methane is sourced from PubChem (CID 10176135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).