1,1,1-trifluoroethane

C2H2F3- — CID 102066195

IUPAC1,1,1-trifluoroethane
SMILES[CH2-]C(F)(F)F
InChIInChI=1S/C2H2F3/c1-2(3,4)5/h1H2/q-1
InChIKeyOCCYQFIFJNAPBM-UHFFFAOYSA-N
MW83.03 g/mol
LogP1.38
Rot. Bonds

About 1,1,1-trifluoroethane

1,1,1-trifluoroethane (PubChem CID 102066195) has the molecular formula C2H2F3- and a molecular weight of 83.03 g/mol. Its IUPAC name is 1,1,1-trifluoroethane.

Molecular Properties

Compound Name1,1,1-trifluoroethane
PubChem CID102066195
Molecular FormulaC2H2F3-
Molecular Weight83.03 g/mol
Exact Mass83.01
IUPAC Name1,1,1-trifluoroethane
SMILES[CH2-]C(F)(F)F
InChIInChI=1S/C2H2F3/c1-2(3,4)5/h1H2/q-1
InChIKeyOCCYQFIFJNAPBM-UHFFFAOYSA-N
XLogP1.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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 1,1,1-trifluoroethane?
The IUPAC name of 1,1,1-trifluoroethane (CID 102066195) is 1,1,1-trifluoroethane.
What is the SMILES notation for 1,1,1-trifluoroethane?
The canonical SMILES for 1,1,1-trifluoroethane is [CH2-]C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoroethane?
The InChIKey is OCCYQFIFJNAPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3/c1-2(3,4)5/h1H2/q-1.
What are the key properties of 1,1,1-trifluoroethane?
1,1,1-trifluoroethane has a molecular weight of 83.03 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoroethane is sourced from PubChem (CID 102066195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).