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

C13H15F3O — CID 134895147

IUPAC[(E)-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-ZRDIBKRKSA-N
MW244.26 g/mol
LogP4.10
Rot. Bonds5

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

[(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene (PubChem CID 134895147) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is [(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene
PubChem CID134895147
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name[(E)-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-ZRDIBKRKSA-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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Related Compounds

Ethyl styryl ether
CID 5383414
Benzene, (2-methoxyethenyl)-
CID 5368493
(2,2-Difluoropropyl)benzene
CID 285390
(1,1-Difluoroethyl)benzene
CID 10942535
[(Z)-2-phenylprop-1-enyl] trifluoromethanesulfonate
CID 3003900
2-(Difluoromethoxy)ethylbenzene
CID 68508698
[1,2-Difluoro-2-(heptafluoropropoxy)ethenyl]benzene
CID 71414201
[(E)-2-Methoxyethenyl]benzene
CID 107588
(E)-beta-Methoxy-alpha-methylstyrene
CID 3034642
1-Methoxy-2-[4-(trifluoromethyl)phenyl]ethene
CID 21459450
(1,1-Difluoropropyl)benzene
CID 15076545
(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445

Frequently Asked Questions

What is the IUPAC name of [(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene?
The IUPAC name of [(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene (CID 134895147) is [(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene.
What is the SMILES notation for [(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene?
The canonical SMILES for [(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene is CCO/C(=C/CCc1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene?
The InChIKey is NXYAHAFYBOJIDB-ZRDIBKRKSA-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 [(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene?
[(E)-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 [(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene is sourced from PubChem (CID 134895147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).