2-(2-chloroethoxy)-1,1,1-trifluoroethane

C4H6ClF3O — CID 18464844

IUPAC2-(2-chloroethoxy)-1,1,1-trifluoroethane
SMILESFC(F)(F)COCCCl
InChIInChI=1S/C4H6ClF3O/c5-1-2-9-3-4(6,7)8/h1-3H2
InChIKeyPSPSSKGNQJKXHK-UHFFFAOYSA-N
MW162.54 g/mol
LogP1.80
Rot. Bonds3

About 2-(2-chloroethoxy)-1,1,1-trifluoroethane

2-(2-chloroethoxy)-1,1,1-trifluoroethane (PubChem CID 18464844) has the molecular formula C4H6ClF3O and a molecular weight of 162.54 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-(2-chloroethoxy)-1,1,1-trifluoroethane
PubChem CID18464844
Molecular FormulaC4H6ClF3O
Molecular Weight162.54 g/mol
Exact Mass162.01
IUPAC Name2-(2-chloroethoxy)-1,1,1-trifluoroethane
SMILESFC(F)(F)COCCCl
InChIInChI=1S/C4H6ClF3O/c5-1-2-9-3-4(6,7)8/h1-3H2
InChIKeyPSPSSKGNQJKXHK-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.54
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-1,1,1-trifluoroethane?
The IUPAC name of 2-(2-chloroethoxy)-1,1,1-trifluoroethane (CID 18464844) is 2-(2-chloroethoxy)-1,1,1-trifluoroethane.
What is the SMILES notation for 2-(2-chloroethoxy)-1,1,1-trifluoroethane?
The canonical SMILES for 2-(2-chloroethoxy)-1,1,1-trifluoroethane is FC(F)(F)COCCCl.
What is the InChIKey of 2-(2-chloroethoxy)-1,1,1-trifluoroethane?
The InChIKey is PSPSSKGNQJKXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3O/c5-1-2-9-3-4(6,7)8/h1-3H2.
What are the key properties of 2-(2-chloroethoxy)-1,1,1-trifluoroethane?
2-(2-chloroethoxy)-1,1,1-trifluoroethane has a molecular weight of 162.54 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-1,1,1-trifluoroethane is sourced from PubChem (CID 18464844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).