1,1,2-trichloro-1-fluoroethane;hydrofluoride

C2H3Cl3F2 — CID 87631220

IUPAC1,1,2-trichloro-1-fluoroethane;hydrofluoride
SMILESF.FC(Cl)(Cl)CCl
InChIInChI=1S/C2H2Cl3F.FH/c3-1-2(4,5)6;/h1H2;1H
InChIKeyAAFZTFUUGGHDGG-UHFFFAOYSA-N
MW171.40 g/mol
LogP2.48
Rot. Bonds1

About 1,1,2-trichloro-1-fluoroethane;hydrofluoride

1,1,2-trichloro-1-fluoroethane;hydrofluoride (PubChem CID 87631220) has the molecular formula C2H3Cl3F2 and a molecular weight of 171.40 g/mol. Its IUPAC name is 1,1,2-trichloro-1-fluoroethane;hydrofluoride.

Molecular Properties

Compound Name1,1,2-trichloro-1-fluoroethane;hydrofluoride
PubChem CID87631220
Molecular FormulaC2H3Cl3F2
Molecular Weight171.40 g/mol
Exact Mass169.93
IUPAC Name1,1,2-trichloro-1-fluoroethane;hydrofluoride
SMILESF.FC(Cl)(Cl)CCl
InChIInChI=1S/C2H2Cl3F.FH/c3-1-2(4,5)6;/h1H2;1H
InChIKeyAAFZTFUUGGHDGG-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.40
LogP ≤ 52.48
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 1,1,2-trichloro-1-fluoroethane;hydrofluoride?
The IUPAC name of 1,1,2-trichloro-1-fluoroethane;hydrofluoride (CID 87631220) is 1,1,2-trichloro-1-fluoroethane;hydrofluoride.
What is the SMILES notation for 1,1,2-trichloro-1-fluoroethane;hydrofluoride?
The canonical SMILES for 1,1,2-trichloro-1-fluoroethane;hydrofluoride is F.FC(Cl)(Cl)CCl.
What is the InChIKey of 1,1,2-trichloro-1-fluoroethane;hydrofluoride?
The InChIKey is AAFZTFUUGGHDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl3F.FH/c3-1-2(4,5)6;/h1H2;1H.
What are the key properties of 1,1,2-trichloro-1-fluoroethane;hydrofluoride?
1,1,2-trichloro-1-fluoroethane;hydrofluoride has a molecular weight of 171.40 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-1-fluoroethane;hydrofluoride is sourced from PubChem (CID 87631220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).