2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane

C4H6Cl2F2O — CID 12519976

IUPAC2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane
SMILESFC(CCl)OC(F)CCl
InChIInChI=1S/C4H6Cl2F2O/c5-1-3(7)9-4(8)2-6/h3-4H,1-2H2
InChIKeyZNFMTXVCNCJLNM-UHFFFAOYSA-N
MW178.99 g/mol
LogP2.07
Rot. Bonds4

About 2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane

2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane (PubChem CID 12519976) has the molecular formula C4H6Cl2F2O and a molecular weight of 178.99 g/mol. Its IUPAC name is 2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane.

Molecular Properties

Compound Name2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane
PubChem CID12519976
Molecular FormulaC4H6Cl2F2O
Molecular Weight178.99 g/mol
Exact Mass177.98
IUPAC Name2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane
SMILESFC(CCl)OC(F)CCl
InChIInChI=1S/C4H6Cl2F2O/c5-1-3(7)9-4(8)2-6/h3-4H,1-2H2
InChIKeyZNFMTXVCNCJLNM-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.99
LogP ≤ 52.07
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 2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane?
The IUPAC name of 2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane (CID 12519976) is 2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane.
What is the SMILES notation for 2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane?
The canonical SMILES for 2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane is FC(CCl)OC(F)CCl.
What is the InChIKey of 2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane?
The InChIKey is ZNFMTXVCNCJLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2F2O/c5-1-3(7)9-4(8)2-6/h3-4H,1-2H2.
What are the key properties of 2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane?
2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane has a molecular weight of 178.99 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloro-1-fluoroethoxy)-1-fluoroethane is sourced from PubChem (CID 12519976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).