trichloro(fluoro)methane;hydrochloride

CHCl4F — CID 88794151

IUPACtrichloro(fluoro)methane;hydrochloride
SMILESCl.FC(Cl)(Cl)Cl
InChIInChI=1S/CCl3F.ClH/c2-1(3,4)5;/h;1H
InChIKeyQLZLQBONZRNILK-UHFFFAOYSA-N
MW173.83 g/mol
LogP2.71
Rot. Bonds

About trichloro(fluoro)methane;hydrochloride

trichloro(fluoro)methane;hydrochloride (PubChem CID 88794151) has the molecular formula CHCl4F and a molecular weight of 173.83 g/mol. Its IUPAC name is trichloro(fluoro)methane;hydrochloride.

Molecular Properties

Compound Nametrichloro(fluoro)methane;hydrochloride
PubChem CID88794151
Molecular FormulaCHCl4F
Molecular Weight173.83 g/mol
Exact Mass171.88
IUPAC Nametrichloro(fluoro)methane;hydrochloride
SMILESCl.FC(Cl)(Cl)Cl
InChIInChI=1S/CCl3F.ClH/c2-1(3,4)5;/h;1H
InChIKeyQLZLQBONZRNILK-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.83
LogP ≤ 52.71
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(fluoro)methane;hydrochloride?
The IUPAC name of trichloro(fluoro)methane;hydrochloride (CID 88794151) is trichloro(fluoro)methane;hydrochloride.
What is the SMILES notation for trichloro(fluoro)methane;hydrochloride?
The canonical SMILES for trichloro(fluoro)methane;hydrochloride is Cl.FC(Cl)(Cl)Cl.
What is the InChIKey of trichloro(fluoro)methane;hydrochloride?
The InChIKey is QLZLQBONZRNILK-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl3F.ClH/c2-1(3,4)5;/h;1H.
What are the key properties of trichloro(fluoro)methane;hydrochloride?
trichloro(fluoro)methane;hydrochloride has a molecular weight of 173.83 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(fluoro)methane;hydrochloride is sourced from PubChem (CID 88794151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).