1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane

C5HClF10O2 — CID 150266243

IUPAC1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane
SMILESFC(F)OC(Cl)(OC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HClF10O2/c6-2(3(9,10)11,17-1(7)8)18-5(15,16)4(12,13)14/h1H
InChIKeyGCPHEOZBXXVYLL-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.85
Rot. Bonds4

About 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane

1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane (PubChem CID 150266243) has the molecular formula C5HClF10O2 and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane.

Molecular Properties

Compound Name1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane
PubChem CID150266243
Molecular FormulaC5HClF10O2
Molecular Weight318.49 g/mol
Exact Mass317.95
IUPAC Name1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane
SMILESFC(F)OC(Cl)(OC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HClF10O2/c6-2(3(9,10)11,17-1(7)8)18-5(15,16)4(12,13)14/h1H
InChIKeyGCPHEOZBXXVYLL-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane
CID 88618098
1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane
CID 154092852
trichloro(difluoromethoxy)methane
CID 10986989
1-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
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
1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane
CID 131727729
1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane
CID 20606324
[2-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropyl] hypofluorite
CID 88556084
1-[[[[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2,2-pentafluoroethane
CID 175196171
2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol
CID 122445395
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane
CID 175726700

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane?
The IUPAC name of 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane (CID 150266243) is 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane.
What is the SMILES notation for 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane?
The canonical SMILES for 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane is FC(F)OC(Cl)(OC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane?
The InChIKey is GCPHEOZBXXVYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF10O2/c6-2(3(9,10)11,17-1(7)8)18-5(15,16)4(12,13)14/h1H.
What are the key properties of 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane?
1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane has a molecular weight of 318.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane is sourced from PubChem (CID 150266243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).