1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane

C3HCl2F5O — CID 20606324

IUPAC1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane
SMILESFC(F)(F)C(F)(F)OC(Cl)Cl
InChIInChI=1S/C3HCl2F5O/c4-1(5)11-3(9,10)2(6,7)8/h1H
InChIKeyQXWXDZCESWMMCN-UHFFFAOYSA-N
MW218.94 g/mol
LogP2.92
Rot. Bonds2

About 1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane

1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane (PubChem CID 20606324) has the molecular formula C3HCl2F5O and a molecular weight of 218.94 g/mol. Its IUPAC name is 1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane
PubChem CID20606324
Molecular FormulaC3HCl2F5O
Molecular Weight218.94 g/mol
Exact Mass217.93
IUPAC Name1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane
SMILESFC(F)(F)C(F)(F)OC(Cl)Cl
InChIInChI=1S/C3HCl2F5O/c4-1(5)11-3(9,10)2(6,7)8/h1H
InChIKeyQXWXDZCESWMMCN-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.94
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 175756369
1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane
CID 131727729
1-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
1-[3-(dichloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine
CID 20579833
1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane
CID 174963973
1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane
CID 173044414
1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane
CID 150266243
2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane
CID 14930244
(1S)-1-chloro-1-(trifluoromethoxy)ethane
CID 155273016
potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 141152926
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane
CID 141163022

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane (CID 20606324) is 1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane is FC(F)(F)C(F)(F)OC(Cl)Cl.
What is the InChIKey of 1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane?
The InChIKey is QXWXDZCESWMMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2F5O/c4-1(5)11-3(9,10)2(6,7)8/h1H.
What are the key properties of 1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane?
1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane has a molecular weight of 218.94 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 20606324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).