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

C4H6ClF3O — CID 54348811

IUPAC1-(2-chloroethoxy)-1,1,2-trifluoroethane
SMILESFCC(F)(F)OCCCl
InChIInChI=1S/C4H6ClF3O/c5-1-2-9-4(7,8)3-6/h1-3H2
InChIKeyKJFUNVFERGEQEA-UHFFFAOYSA-N
MW162.54 g/mol
LogP1.80
Rot. Bonds4

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

1-(2-chloroethoxy)-1,1,2-trifluoroethane (PubChem CID 54348811) has the molecular formula C4H6ClF3O and a molecular weight of 162.54 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-1,1,2-trifluoroethane.

Molecular Properties

Compound Name1-(2-chloroethoxy)-1,1,2-trifluoroethane
PubChem CID54348811
Molecular FormulaC4H6ClF3O
Molecular Weight162.54 g/mol
Exact Mass162.01
IUPAC Name1-(2-chloroethoxy)-1,1,2-trifluoroethane
SMILESFCC(F)(F)OCCCl
InChIInChI=1S/C4H6ClF3O/c5-1-2-9-4(7,8)3-6/h1-3H2
InChIKeyKJFUNVFERGEQEA-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)-1,1,2-trifluoroethane?
The IUPAC name of 1-(2-chloroethoxy)-1,1,2-trifluoroethane (CID 54348811) is 1-(2-chloroethoxy)-1,1,2-trifluoroethane.
What is the SMILES notation for 1-(2-chloroethoxy)-1,1,2-trifluoroethane?
The canonical SMILES for 1-(2-chloroethoxy)-1,1,2-trifluoroethane is FCC(F)(F)OCCCl.
What is the InChIKey of 1-(2-chloroethoxy)-1,1,2-trifluoroethane?
The InChIKey is KJFUNVFERGEQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3O/c5-1-2-9-4(7,8)3-6/h1-3H2.
What are the key properties of 1-(2-chloroethoxy)-1,1,2-trifluoroethane?
1-(2-chloroethoxy)-1,1,2-trifluoroethane has a molecular weight of 162.54 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-1,1,2-trifluoroethane is sourced from PubChem (CID 54348811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).