1,1,2-trifluoroethane

C2H2F3- — CID 102095951

IUPAC1,1,2-trifluoroethane
SMILESF[CH-]C(F)F
InChIInChI=1S/C2H2F3/c3-1-2(4)5/h1-2H/q-1
InChIKeyWGYAQIZDVISEBX-UHFFFAOYSA-N
MW83.03 g/mol
LogP1.38
Rot. Bonds1

About 1,1,2-trifluoroethane

1,1,2-trifluoroethane (PubChem CID 102095951) has the molecular formula C2H2F3- and a molecular weight of 83.03 g/mol. Its IUPAC name is 1,1,2-trifluoroethane.

Molecular Properties

Compound Name1,1,2-trifluoroethane
PubChem CID102095951
Molecular FormulaC2H2F3-
Molecular Weight83.03 g/mol
Exact Mass83.01
IUPAC Name1,1,2-trifluoroethane
SMILESF[CH-]C(F)F
InChIInChI=1S/C2H2F3/c3-1-2(4)5/h1-2H/q-1
InChIKeyWGYAQIZDVISEBX-UHFFFAOYSA-N
XLogP1.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.03
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethane?
The IUPAC name of 1,1,2-trifluoroethane (CID 102095951) is 1,1,2-trifluoroethane.
What is the SMILES notation for 1,1,2-trifluoroethane?
The canonical SMILES for 1,1,2-trifluoroethane is F[CH-]C(F)F.
What is the InChIKey of 1,1,2-trifluoroethane?
The InChIKey is WGYAQIZDVISEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3/c3-1-2(4)5/h1-2H/q-1.
What are the key properties of 1,1,2-trifluoroethane?
1,1,2-trifluoroethane has a molecular weight of 83.03 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethane is sourced from PubChem (CID 102095951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).