5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate

C8H8F6O2 — CID 101227617

IUPAC5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate
SMILESCCO[CH+]CC([O-])=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O2/c1-2-16-4-3-5(15)6(7(9,10)11)8(12,13)14/h4H,2-3H2,1H3
InChIKeyCEONENLMDOMHMM-UHFFFAOYSA-N
MW250.14 g/mol
LogP2.31
Rot. Bonds4

About 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate

5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate (PubChem CID 101227617) has the molecular formula C8H8F6O2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate.

Molecular Properties

Compound Name5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate
PubChem CID101227617
Molecular FormulaC8H8F6O2
Molecular Weight250.14 g/mol
Exact Mass250.04
IUPAC Name5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate
SMILESCCO[CH+]CC([O-])=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O2/c1-2-16-4-3-5(15)6(7(9,10)11)8(12,13)14/h4H,2-3H2,1H3
InChIKeyCEONENLMDOMHMM-UHFFFAOYSA-N
XLogP2.31
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-Butan-2-yloxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 13513420
1,1,1,4,4,5,5,5-Octafluoro-3-(2-methylpropoxy)-2-(trifluoromethyl)pent-2-ene
CID 13513421
3-Ethoxyperfluoro-2-methyl-2-pentene
CID 12662703
5-Ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate
CID 134893516
1,1,1,4,4,5,5,5-Octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene
CID 15006628
1,1,1,4,5,5,5-Heptafluoro-3-propoxy-2,4-bis(trifluoromethyl)pent-2-ene
CID 15124829
3-Ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761951
3-Butoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761956
3-Butoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 19761976
3-Methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane
CID 118236007
5-Ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol
CID 101227618
5-Ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol
CID 134893517

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate?
The IUPAC name of 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate (CID 101227617) is 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate.
What is the SMILES notation for 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate?
The canonical SMILES for 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate is CCO[CH+]CC([O-])=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate?
The InChIKey is CEONENLMDOMHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O2/c1-2-16-4-3-5(15)6(7(9,10)11)8(12,13)14/h4H,2-3H2,1H3.
What are the key properties of 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate?
5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate has a molecular weight of 250.14 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate is sourced from PubChem (CID 101227617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).