1,1-dichloro-1,2,2-trifluoroethane

C2HCl2F3 — CID 13132

IUPAC1,1-dichloro-1,2,2-trifluoroethane
SMILESFC(F)C(F)(Cl)Cl
InChIInChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H
InChIKeyAFTSHZRGGNMLHC-UHFFFAOYSA-N
MW152.93 g/mol
LogP2.35
Rot. Bonds1

About 1,1-dichloro-1,2,2-trifluoroethane

1,1-dichloro-1,2,2-trifluoroethane (PubChem CID 13132) has the molecular formula C2HCl2F3 and a molecular weight of 152.93 g/mol. Its IUPAC name is 1,1-dichloro-1,2,2-trifluoroethane.

Molecular Properties

Compound Name1,1-dichloro-1,2,2-trifluoroethane
PubChem CID13132
Molecular FormulaC2HCl2F3
Molecular Weight152.93 g/mol
Exact Mass151.94
IUPAC Name1,1-dichloro-1,2,2-trifluoroethane
SMILESFC(F)C(F)(Cl)Cl
InChIInChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H
InChIKeyAFTSHZRGGNMLHC-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.93
LogP ≤ 52.35
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-dichloro-1,2,2-trifluoroethane?
The IUPAC name of 1,1-dichloro-1,2,2-trifluoroethane (CID 13132) is 1,1-dichloro-1,2,2-trifluoroethane.
What is the SMILES notation for 1,1-dichloro-1,2,2-trifluoroethane?
The canonical SMILES for 1,1-dichloro-1,2,2-trifluoroethane is FC(F)C(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1,2,2-trifluoroethane?
The InChIKey is AFTSHZRGGNMLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H.
What are the key properties of 1,1-dichloro-1,2,2-trifluoroethane?
1,1-dichloro-1,2,2-trifluoroethane has a molecular weight of 152.93 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1,2,2-trifluoroethane is sourced from PubChem (CID 13132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).