2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate

C6H2F8O2 — CID 10563131

IUPAC2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate
SMILESO=C(OCC(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H2F8O2/c7-2(3(8)9)6(13,14)4(15)16-1-5(10,11)12/h1H2
InChIKeyNNZAQGGADNRJDD-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.80
Rot. Bonds3

About 2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate

2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate (PubChem CID 10563131) has the molecular formula C6H2F8O2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate
PubChem CID10563131
Molecular FormulaC6H2F8O2
Molecular Weight258.06 g/mol
Exact Mass257.99
IUPAC Name2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate
SMILESO=C(OCC(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H2F8O2/c7-2(3(8)9)6(13,14)4(15)16-1-5(10,11)12/h1H2
InChIKeyNNZAQGGADNRJDD-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl 3-hydroxy-2,2-bis(hydroxymethyl)propanoate
CID 139170506
2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate
CID 134247680
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-methyl-2-(trifluoromethyl)butanoate
CID 23594538
bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 24867806
bis(2,2,2-trifluoroethyl) (Z)-but-2-enedioate
CID 5462778
1,1,3,3,3-pentafluoro-2-(2,2,2-trifluoroethoxy)prop-1-ene
CID 122598999
2,2,2-trifluoroethyl 2-chloro-2-oxoacetate
CID 18939209
diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
CID 86616588
[(2S)-2,3-dimethyl-1-oxo-1-(2,2,2-trifluoroethoxy)butan-2-yl]azanium chloride
CID 110192843
2,2,2-trifluoroethyl (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 162982682
2,2,2-trifluoroethyl 2-ethyl-2-methylpentanoate
CID 139362815

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate?
The IUPAC name of 2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate (CID 10563131) is 2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate?
The canonical SMILES for 2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate is O=C(OCC(F)(F)F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate?
The InChIKey is NNZAQGGADNRJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8O2/c7-2(3(8)9)6(13,14)4(15)16-1-5(10,11)12/h1H2.
What are the key properties of 2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate?
2,2,2-trifluoroethyl 2,2,3,4,4-pentafluorobut-3-enoate has a molecular weight of 258.06 g/mol, XLogP of 2.80, 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 2,2,3,4,4-pentafluorobut-3-enoate is sourced from PubChem (CID 10563131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).