carbon dioxide;chloro(difluoro)methane

C2HClF2O2 — CID 161091167

IUPACcarbon dioxide;chloro(difluoro)methane
SMILESFC(F)Cl.O=C=O
InChIInChI=1S/CHClF2.CO2/c2-1(3)4;2-1-3/h1H;
InChIKeyUHESEYUHLBDCAE-UHFFFAOYSA-N
MW130.48 g/mol
LogP0.86
Rot. Bonds

About carbon dioxide;chloro(difluoro)methane

carbon dioxide;chloro(difluoro)methane (PubChem CID 161091167) has the molecular formula C2HClF2O2 and a molecular weight of 130.48 g/mol. Its IUPAC name is carbon dioxide;chloro(difluoro)methane.

Molecular Properties

Compound Namecarbon dioxide;chloro(difluoro)methane
PubChem CID161091167
Molecular FormulaC2HClF2O2
Molecular Weight130.48 g/mol
Exact Mass129.96
IUPAC Namecarbon dioxide;chloro(difluoro)methane
SMILESFC(F)Cl.O=C=O
InChIInChI=1S/CHClF2.CO2/c2-1(3)4;2-1-3/h1H;
InChIKeyUHESEYUHLBDCAE-UHFFFAOYSA-N
XLogP0.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.48
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 carbon dioxide;chloro(difluoro)methane?
The IUPAC name of carbon dioxide;chloro(difluoro)methane (CID 161091167) is carbon dioxide;chloro(difluoro)methane.
What is the SMILES notation for carbon dioxide;chloro(difluoro)methane?
The canonical SMILES for carbon dioxide;chloro(difluoro)methane is FC(F)Cl.O=C=O.
What is the InChIKey of carbon dioxide;chloro(difluoro)methane?
The InChIKey is UHESEYUHLBDCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/CHClF2.CO2/c2-1(3)4;2-1-3/h1H;.
What are the key properties of carbon dioxide;chloro(difluoro)methane?
carbon dioxide;chloro(difluoro)methane has a molecular weight of 130.48 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;chloro(difluoro)methane is sourced from PubChem (CID 161091167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).