3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene

C8H5F11O — CID 12662703

IUPAC3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
SMILESCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F11O/c1-2-20-4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h2H2,1H3
InChIKeyMDVMZSADXOXENA-UHFFFAOYSA-N
MW326.11 g/mol
LogP4.60
Rot. Bonds3

About 3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene

3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene (PubChem CID 12662703) has the molecular formula C8H5F11O and a molecular weight of 326.11 g/mol. Its IUPAC name is 3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
PubChem CID12662703
Molecular FormulaC8H5F11O
Molecular Weight326.11 g/mol
Exact Mass326.02
IUPAC Name3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
SMILESCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F11O/c1-2-20-4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h2H2,1H3
InChIKeyMDVMZSADXOXENA-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,4,4,5,5,5-Octafluoro-3-propan-2-yloxy-2-(trifluoromethyl)pent-2-ene
CID 13513419
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
2,4-Bis(trifluoromethyl)-3-methoxy-1,1,1,5,5,5-hexafluoro-2-pentene
CID 23233564
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
2-Ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene
CID 12756899
3-Ethoxy-1,1,1,4,4,5,5,6,6,6-decafluoro-2-(trifluoromethyl)hex-2-ene
CID 13267237
1,1,1,4,4,5,5,5-Octafluoro-3-(2,2,3,3-tetrafluoropropoxy)-2-(trifluoromethyl)pent-2-ene
CID 13513424
1-Ethoxy-2,3,3,4,5,6,6-heptafluorocyclohexa-1,4-diene
CID 21731963
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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene (CID 12662703) is 3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene is CCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The InChIKey is MDVMZSADXOXENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O/c1-2-20-4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h2H2,1H3.
What are the key properties of 3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene has a molecular weight of 326.11 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 12662703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).