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

C8H9F6O2+ — CID 101227618

IUPAC5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol
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/p+1
InChIKeyCEONENLMDOMHMM-UHFFFAOYSA-O
MW251.15 g/mol
LogP3.51
Rot. Bonds4

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

5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol (PubChem CID 101227618) has the molecular formula C8H9F6O2+ and a molecular weight of 251.15 g/mol. Its IUPAC name is 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol.

Molecular Properties

Compound Name5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol
PubChem CID101227618
Molecular FormulaC8H9F6O2+
Molecular Weight251.15 g/mol
Exact Mass251.05
IUPAC Name5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol
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/p+1
InChIKeyCEONENLMDOMHMM-UHFFFAOYSA-O
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 53.51
H-Bond Donors ≤ 51
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

5-Ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate
CID 101227617
5-Ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-olate
CID 134893516
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-ol?
The IUPAC name of 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol (CID 101227618) is 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol.
What is the SMILES notation for 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol?
The canonical SMILES for 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol 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-ol?
The InChIKey is CEONENLMDOMHMM-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol?
5-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-ol has a molecular weight of 251.15 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 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-ol is sourced from PubChem (CID 101227618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).