[(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene

C12H11F5O — CID 15651904

IUPAC[(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene
SMILESCCO/C(=C\c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H11F5O/c1-2-18-10(11(13,14)12(15,16)17)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKeyIKXGPZKORSHOLF-NTMALXAHSA-N
MW266.21 g/mol
LogP4.26
Rot. Bonds4

About [(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene

[(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene (PubChem CID 15651904) has the molecular formula C12H11F5O and a molecular weight of 266.21 g/mol. Its IUPAC name is [(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene
PubChem CID15651904
Molecular FormulaC12H11F5O
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name[(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene
SMILESCCO/C(=C\c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H11F5O/c1-2-18-10(11(13,14)12(15,16)17)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKeyIKXGPZKORSHOLF-NTMALXAHSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene?
The IUPAC name of [(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene (CID 15651904) is [(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene.
What is the SMILES notation for [(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene?
The canonical SMILES for [(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene is CCO/C(=C\c1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of [(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene?
The InChIKey is IKXGPZKORSHOLF-NTMALXAHSA-N. The full InChI is InChI=1S/C12H11F5O/c1-2-18-10(11(13,14)12(15,16)17)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-.
What are the key properties of [(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene?
[(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene has a molecular weight of 266.21 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene is sourced from PubChem (CID 15651904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).