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

C10H15F5O — CID 91198982

IUPAC3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene
SMILESCCCOCC=C(CC)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5O/c1-3-6-16-7-5-8(4-2)9(11,12)10(13,14)15/h5H,3-4,6-7H2,1-2H3
InChIKeyXJJLCRVQXBNOEH-UHFFFAOYSA-N
MW246.22 g/mol
LogP3.95
Rot. Bonds6

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

3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene (PubChem CID 91198982) has the molecular formula C10H15F5O and a molecular weight of 246.22 g/mol. Its IUPAC name is 3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene.

Molecular Properties

Compound Name3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene
PubChem CID91198982
Molecular FormulaC10H15F5O
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene
SMILESCCCOCC=C(CC)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5O/c1-3-6-16-7-5-8(4-2)9(11,12)10(13,14)15/h5H,3-4,6-7H2,1-2H3
InChIKeyXJJLCRVQXBNOEH-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-propoxypent-2-ene?
The IUPAC name of 3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene (CID 91198982) is 3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene.
What is the SMILES notation for 3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene?
The canonical SMILES for 3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene is CCCOCC=C(CC)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene?
The InChIKey is XJJLCRVQXBNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O/c1-3-6-16-7-5-8(4-2)9(11,12)10(13,14)15/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene?
3-ethyl-4,4,5,5,5-pentafluoro-1-propoxypent-2-ene has a molecular weight of 246.22 g/mol, XLogP of 3.95, 6 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-propoxypent-2-ene is sourced from PubChem (CID 91198982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).