[(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene

C13H15F3O — CID 11021122

IUPAC[(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene
SMILESCCO/C(=C\CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H15F3O/c1-2-17-12(13(14,15)16)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-
InChIKeyNXYAHAFYBOJIDB-BENRWUELSA-N
MW244.26 g/mol
LogP4.10
Rot. Bonds5

About [(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene

[(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene (PubChem CID 11021122) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is [(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene.

Molecular Properties

Compound Name[(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene
PubChem CID11021122
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name[(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene
SMILESCCO/C(=C\CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H15F3O/c1-2-17-12(13(14,15)16)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-
InChIKeyNXYAHAFYBOJIDB-BENRWUELSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene?
The IUPAC name of [(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene (CID 11021122) is [(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene.
What is the SMILES notation for [(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene?
The canonical SMILES for [(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene is CCO/C(=C\CCc1ccccc1)C(F)(F)F.
What is the InChIKey of [(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene?
The InChIKey is NXYAHAFYBOJIDB-BENRWUELSA-N. The full InChI is InChI=1S/C13H15F3O/c1-2-17-12(13(14,15)16)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3/b12-10-.
What are the key properties of [(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene?
[(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene has a molecular weight of 244.26 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene is sourced from PubChem (CID 11021122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).