2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate

C5H3F7O2 — CID 134247680

IUPAC2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate
SMILESO=C(OCC(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C5H3F7O2/c6-2(7)5(11,12)3(13)14-1-4(8,9)10/h2H,1H2
InChIKeyWKYNFTVQBRFEHW-UHFFFAOYSA-N
MW228.06 g/mol
LogP1.99
Rot. Bonds3

About 2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate

2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate (PubChem CID 134247680) has the molecular formula C5H3F7O2 and a molecular weight of 228.06 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate
PubChem CID134247680
Molecular FormulaC5H3F7O2
Molecular Weight228.06 g/mol
Exact Mass228.00
IUPAC Name2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate
SMILESO=C(OCC(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C5H3F7O2/c6-2(7)5(11,12)3(13)14-1-4(8,9)10/h2H,1H2
InChIKeyWKYNFTVQBRFEHW-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl 2-bromo-2-fluoroacetate
CID 162536281
2,2,2-trifluoroethyl 3-hydroxy-2,2-bis(hydroxymethyl)propanoate
CID 139170506
bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 24867806
[3,3-difluoro-4-oxo-4-(2,2,2-trifluoroethoxy)butan-2-yl] 2,2-dimethylbutanoate
CID 59611868
2,2,2-trifluoroethyl 2-chloro-2-oxoacetate
CID 18939209
potassium;fluoro 2,2,3,3-tetrafluoropropanoate;hydride
CID 173393636
2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate
CID 10563131
[(2S)-2,3-dimethyl-1-oxo-1-(2,2,2-trifluoroethoxy)butan-2-yl]azanium chloride
CID 110192843
2,2,2-trifluoroethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 2748479
2,2,2-trifluoroethyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate
CID 123435278
2,2,2-trifluoroethyl 2-methyl-2-(trifluoromethyl)butanoate
CID 23594538
[(Z)-4-(2,2,2-trifluoroethoxycarbonyloxy)but-2-enyl] 2,2,2-trifluoroethyl carbonate
CID 102282327

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate?
The IUPAC name of 2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate (CID 134247680) is 2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate?
The canonical SMILES for 2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate is O=C(OCC(F)(F)F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate?
The InChIKey is WKYNFTVQBRFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O2/c6-2(7)5(11,12)3(13)14-1-4(8,9)10/h2H,1H2.
What are the key properties of 2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate?
2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate has a molecular weight of 228.06 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate is sourced from PubChem (CID 134247680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).