1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane

C3H2F6O — CID 11805140

IUPAC1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane
SMILESFCOC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-1-10-3(8,9)2(5,6)7/h1H2
InChIKeyZKUNVWAUBBHPJT-UHFFFAOYSA-N
MW168.04 g/mol
LogP2.09
Rot. Bonds2

About 1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane

1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane (PubChem CID 11805140) has the molecular formula C3H2F6O and a molecular weight of 168.04 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane
PubChem CID11805140
Molecular FormulaC3H2F6O
Molecular Weight168.04 g/mol
Exact Mass168.00
IUPAC Name1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane
SMILESFCOC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-1-10-3(8,9)2(5,6)7/h1H2
InChIKeyZKUNVWAUBBHPJT-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
CID 2775955
1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane
CID 58602209
bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 158390889
1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propane
CID 23563840
1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane
CID 58114569
2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
CID 59008596
(2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine
CID 97302135
2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane
CID 44582441
fluoromethane;fluoro(methoxy)methane;methane;1,1,2,2,3-pentafluoro-1-(fluoromethoxy)propane;1,2,2-trifluoro-3-methoxypropane
CID 159678024
dioxido(1,1,2,2,2-pentafluoroethoxy)borane
CID 154095446
difluoro(fluoromethoxy)methanesulfonic acid
CID 126576986
[2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol
CID 23379719

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane (CID 11805140) is 1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane is FCOC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane?
The InChIKey is ZKUNVWAUBBHPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O/c4-1-10-3(8,9)2(5,6)7/h1H2.
What are the key properties of 1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane?
1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane has a molecular weight of 168.04 g/mol, XLogP of 2.09, 2 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-(fluoromethoxy)ethane is sourced from PubChem (CID 11805140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).