carbon dioxide;1,1,2-trifluoroethane

C3H3F3O2 — CID 174925848

IUPACcarbon dioxide;1,1,2-trifluoroethane
SMILESFCC(F)F.O=C=O
InChIInChI=1S/C2H3F3.CO2/c3-1-2(4)5;2-1-3/h2H,1H2;
InChIKeyFJVXHWLMZZZSST-UHFFFAOYSA-N
MW128.05 g/mol
LogP0.64
Rot. Bonds1

About carbon dioxide;1,1,2-trifluoroethane

carbon dioxide;1,1,2-trifluoroethane (PubChem CID 174925848) has the molecular formula C3H3F3O2 and a molecular weight of 128.05 g/mol. Its IUPAC name is carbon dioxide;1,1,2-trifluoroethane.

Molecular Properties

Compound Namecarbon dioxide;1,1,2-trifluoroethane
PubChem CID174925848
Molecular FormulaC3H3F3O2
Molecular Weight128.05 g/mol
Exact Mass128.01
IUPAC Namecarbon dioxide;1,1,2-trifluoroethane
SMILESFCC(F)F.O=C=O
InChIInChI=1S/C2H3F3.CO2/c3-1-2(4)5;2-1-3/h2H,1H2;
InChIKeyFJVXHWLMZZZSST-UHFFFAOYSA-N
XLogP0.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.05
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze carbon dioxide;1,1,2-trifluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1,1,2-trifluoroethane?
The IUPAC name of carbon dioxide;1,1,2-trifluoroethane (CID 174925848) is carbon dioxide;1,1,2-trifluoroethane.
What is the SMILES notation for carbon dioxide;1,1,2-trifluoroethane?
The canonical SMILES for carbon dioxide;1,1,2-trifluoroethane is FCC(F)F.O=C=O.
What is the InChIKey of carbon dioxide;1,1,2-trifluoroethane?
The InChIKey is FJVXHWLMZZZSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3.CO2/c3-1-2(4)5;2-1-3/h2H,1H2;.
What are the key properties of carbon dioxide;1,1,2-trifluoroethane?
carbon dioxide;1,1,2-trifluoroethane has a molecular weight of 128.05 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1,1,2-trifluoroethane is sourced from PubChem (CID 174925848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).