2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane

C6H8ClF3O2 — CID 12010754

IUPAC2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane
SMILESC=COCCOC(F)(F)C(F)Cl
InChIInChI=1S/C6H8ClF3O2/c1-2-11-3-4-12-6(9,10)5(7)8/h2,5H,1,3-4H2
InChIKeyQKQGGHWNGORBEW-UHFFFAOYSA-N
MW204.57 g/mol
LogP2.29
Rot. Bonds6

About 2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane

2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane (PubChem CID 12010754) has the molecular formula C6H8ClF3O2 and a molecular weight of 204.57 g/mol. Its IUPAC name is 2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane.

Molecular Properties

Compound Name2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane
PubChem CID12010754
Molecular FormulaC6H8ClF3O2
Molecular Weight204.57 g/mol
Exact Mass204.02
IUPAC Name2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane
SMILESC=COCCOC(F)(F)C(F)Cl
InChIInChI=1S/C6H8ClF3O2/c1-2-11-3-4-12-6(9,10)5(7)8/h2,5H,1,3-4H2
InChIKeyQKQGGHWNGORBEW-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.57
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane?
The IUPAC name of 2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane (CID 12010754) is 2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane.
What is the SMILES notation for 2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane?
The canonical SMILES for 2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane is C=COCCOC(F)(F)C(F)Cl.
What is the InChIKey of 2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane?
The InChIKey is QKQGGHWNGORBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3O2/c1-2-11-3-4-12-6(9,10)5(7)8/h2,5H,1,3-4H2.
What are the key properties of 2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane?
2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane has a molecular weight of 204.57 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane is sourced from PubChem (CID 12010754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).