3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene

C8H11F5O — CID 90995440

IUPAC3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene
SMILESCCC(=CCOC)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5O/c1-3-6(4-5-14-2)7(9,10)8(11,12)13/h4H,3,5H2,1-2H3
InChIKeyRHEZBTXUIXDZSK-UHFFFAOYSA-N
MW218.16 g/mol
LogP3.17
Rot. Bonds4

About 3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene

3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene (PubChem CID 90995440) has the molecular formula C8H11F5O and a molecular weight of 218.16 g/mol. Its IUPAC name is 3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene.

Molecular Properties

Compound Name3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene
PubChem CID90995440
Molecular FormulaC8H11F5O
Molecular Weight218.16 g/mol
Exact Mass218.07
IUPAC Name3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene
SMILESCCC(=CCOC)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5O/c1-3-6(4-5-14-2)7(9,10)8(11,12)13/h4H,3,5H2,1-2H3
InChIKeyRHEZBTXUIXDZSK-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene?
The IUPAC name of 3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene (CID 90995440) is 3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene.
What is the SMILES notation for 3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene?
The canonical SMILES for 3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene is CCC(=CCOC)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene?
The InChIKey is RHEZBTXUIXDZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O/c1-3-6(4-5-14-2)7(9,10)8(11,12)13/h4H,3,5H2,1-2H3.
What are the key properties of 3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene?
3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene has a molecular weight of 218.16 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene is sourced from PubChem (CID 90995440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).