1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane

C4HCl3F6O — CID 131727729

IUPAC1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane
SMILESFC(Cl)(Cl)C(Cl)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4HCl3F6O/c5-1(2(6,7)8)14-4(12,13)3(9,10)11/h1H
InChIKeyNVTVJWPIGSYSCL-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.82
Rot. Bonds3

About 1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane

1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane (PubChem CID 131727729) has the molecular formula C4HCl3F6O and a molecular weight of 285.40 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane
PubChem CID131727729
Molecular FormulaC4HCl3F6O
Molecular Weight285.40 g/mol
Exact Mass283.90
IUPAC Name1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane
SMILESFC(Cl)(Cl)C(Cl)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4HCl3F6O/c5-1(2(6,7)8)14-4(12,13)3(9,10)11/h1H
InChIKeyNVTVJWPIGSYSCL-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.82
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)-1,1,2,2,2-pentafluoroethane
CID 20606324
1-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 175756369
1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane
CID 150266243
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
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
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane
CID 175726700
1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane
CID 88618098
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane
CID 12829603
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane
CID 154092852

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane (CID 131727729) is 1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane is FC(Cl)(Cl)C(Cl)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane?
The InChIKey is NVTVJWPIGSYSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl3F6O/c5-1(2(6,7)8)14-4(12,13)3(9,10)11/h1H.
What are the key properties of 1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane?
1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane has a molecular weight of 285.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane is sourced from PubChem (CID 131727729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).