1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane

C5H6F6O3 — CID 22495104

IUPAC1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane
SMILESFCOC(OCF)(OCF)C(F)(F)F
InChIInChI=1S/C5H6F6O3/c6-1-12-5(13-2-7,14-3-8)4(9,10)11/h1-3H2
InChIKeyASNFIPCPYTYDGG-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.03
Rot. Bonds6

About 1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane

1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane (PubChem CID 22495104) has the molecular formula C5H6F6O3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane
PubChem CID22495104
Molecular FormulaC5H6F6O3
Molecular Weight228.09 g/mol
Exact Mass228.02
IUPAC Name1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane
SMILESFCOC(OCF)(OCF)C(F)(F)F
InChIInChI=1S/C5H6F6O3/c6-1-12-5(13-2-7,14-3-8)4(9,10)11/h1-3H2
InChIKeyASNFIPCPYTYDGG-UHFFFAOYSA-N
XLogP2.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2,2-dimethoxypropane
CID 22572626
2-[Difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
CID 14203789
1,1,1-Trifluoro-2,2,2-trimethoxyethane
CID 18927701
1,1,1,3,3,3-Hexafluoro-2,2-bis(fluoromethoxy)propane
CID 20609480
[1,2,2,2-Tetrafluoro-1-(difluoromethoxy)ethyl](difluoromethyl) ether
CID 21187359
1,1,2-Trifluoro-1,2,2-tris(fluoromethoxy)ethane
CID 22495108
1,1,1,2-Tetrafluoro-2,2-bis(fluoromethoxy)ethane
CID 22495110
1-[Difluoro(fluoromethoxy)methoxy]-2-fluoroethane
CID 57934668
1-[Difluoro(fluoromethoxy)methoxy]-1,1,2,2,2-pentafluoroethane
CID 58362316
1,1,1,2,2-Pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane
CID 59434569
Difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane
CID 59917906
1-[Difluoro(methoxy)methoxy]-1,1,2-trifluoroethane
CID 60020190

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane?
The IUPAC name of 1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane (CID 22495104) is 1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane?
The canonical SMILES for 1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane is FCOC(OCF)(OCF)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane?
The InChIKey is ASNFIPCPYTYDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O3/c6-1-12-5(13-2-7,14-3-8)4(9,10)11/h1-3H2.
What are the key properties of 1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane?
1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane has a molecular weight of 228.09 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,2,2-tris(fluoromethoxy)ethane is sourced from PubChem (CID 22495104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).