chloroform;dichloro(difluoro)methane;dichloromethane

C3H3Cl7F2 — CID 157274699

IUPACchloroform;dichloro(difluoro)methane;dichloromethane
SMILESClC(Cl)Cl.ClCCl.FC(F)(Cl)Cl
InChIInChI=1S/CHCl3.CCl2F2.CH2Cl2/c2-1(3)4;2-1(3,4)5;2-1-3/h1H;;1H2
InChIKeyAYYNLTFDJBRQHT-UHFFFAOYSA-N
MW325.22 g/mol
LogP5.42
Rot. Bonds

About chloroform;dichloro(difluoro)methane;dichloromethane

chloroform;dichloro(difluoro)methane;dichloromethane (PubChem CID 157274699) has the molecular formula C3H3Cl7F2 and a molecular weight of 325.22 g/mol. Its IUPAC name is chloroform;dichloro(difluoro)methane;dichloromethane.

Molecular Properties

Compound Namechloroform;dichloro(difluoro)methane;dichloromethane
PubChem CID157274699
Molecular FormulaC3H3Cl7F2
Molecular Weight325.22 g/mol
Exact Mass321.80
IUPAC Namechloroform;dichloro(difluoro)methane;dichloromethane
SMILESClC(Cl)Cl.ClCCl.FC(F)(Cl)Cl
InChIInChI=1S/CHCl3.CCl2F2.CH2Cl2/c2-1(3)4;2-1(3,4)5;2-1-3/h1H;;1H2
InChIKeyAYYNLTFDJBRQHT-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.22
LogP ≤ 55.42
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 chloroform;dichloro(difluoro)methane;dichloromethane?
The IUPAC name of chloroform;dichloro(difluoro)methane;dichloromethane (CID 157274699) is chloroform;dichloro(difluoro)methane;dichloromethane.
What is the SMILES notation for chloroform;dichloro(difluoro)methane;dichloromethane?
The canonical SMILES for chloroform;dichloro(difluoro)methane;dichloromethane is ClC(Cl)Cl.ClCCl.FC(F)(Cl)Cl.
What is the InChIKey of chloroform;dichloro(difluoro)methane;dichloromethane?
The InChIKey is AYYNLTFDJBRQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/CHCl3.CCl2F2.CH2Cl2/c2-1(3)4;2-1(3,4)5;2-1-3/h1H;;1H2.
What are the key properties of chloroform;dichloro(difluoro)methane;dichloromethane?
chloroform;dichloro(difluoro)methane;dichloromethane has a molecular weight of 325.22 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;dichloro(difluoro)methane;dichloromethane is sourced from PubChem (CID 157274699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).