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

C4H5Cl2F3O — CID 13223831

IUPAC1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane
SMILESFC(OCCCl)C(F)(F)Cl
InChIInChI=1S/C4H5Cl2F3O/c5-1-2-10-3(7)4(6,8)9/h3H,1-2H2
InChIKeyICYVPOBNDIHORM-UHFFFAOYSA-N
MW196.98 g/mol
LogP2.37
Rot. Bonds4

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

1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane (PubChem CID 13223831) has the molecular formula C4H5Cl2F3O and a molecular weight of 196.98 g/mol. Its IUPAC name is 1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane.

Molecular Properties

Compound Name1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane
PubChem CID13223831
Molecular FormulaC4H5Cl2F3O
Molecular Weight196.98 g/mol
Exact Mass195.97
IUPAC Name1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane
SMILESFC(OCCCl)C(F)(F)Cl
InChIInChI=1S/C4H5Cl2F3O/c5-1-2-10-3(7)4(6,8)9/h3H,1-2H2
InChIKeyICYVPOBNDIHORM-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.98
LogP ≤ 52.37
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-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane?
The IUPAC name of 1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane (CID 13223831) is 1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane.
What is the SMILES notation for 1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane?
The canonical SMILES for 1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane is FC(OCCCl)C(F)(F)Cl.
What is the InChIKey of 1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane?
The InChIKey is ICYVPOBNDIHORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl2F3O/c5-1-2-10-3(7)4(6,8)9/h3H,1-2H2.
What are the key properties of 1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane?
1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane has a molecular weight of 196.98 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloroethoxy)-1,1,2-trifluoroethane is sourced from PubChem (CID 13223831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).