[(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene

C15H17F3O — CID 134879406

IUPAC[(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene
SMILESC/C=C/CO/C(=C/CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H17F3O/c1-2-3-12-19-14(15(16,17)18)11-7-10-13-8-5-4-6-9-13/h2-6,8-9,11H,7,10,12H2,1H3/b3-2+,14-11+
InChIKeyJTONOBSLKADTEI-GJFJKGJZSA-N
MW270.29 g/mol
LogP4.66
Rot. Bonds6

About [(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene

[(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene (PubChem CID 134879406) has the molecular formula C15H17F3O and a molecular weight of 270.29 g/mol. Its IUPAC name is [(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene
PubChem CID134879406
Molecular FormulaC15H17F3O
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name[(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene
SMILESC/C=C/CO/C(=C/CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H17F3O/c1-2-3-12-19-14(15(16,17)18)11-7-10-13-8-5-4-6-9-13/h2-6,8-9,11H,7,10,12H2,1H3/b3-2+,14-11+
InChIKeyJTONOBSLKADTEI-GJFJKGJZSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4,4,4-trifluoro-3-phenylbut-2-enoate
CID 10900854
(3-Methoxy-1-propenyl)benzene
CID 5462920
ethyl (2Z)-3-trifluoromethyl-3-phenylprop-2-enoate
CID 12600305
1-Methoxy-2-[4-(trifluoromethyl)phenyl]ethene
CID 21459450
2-Butenoic acid, 4,4,4-trifluoro-3-phenyl-, ethyl ester
CID 54315016
(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445
(Z)-(3-Chloro-2-ethoxy-3,3-difluoro-propenyl)-benzene
CID 10889799
[(Z)-4-ethoxy-5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoroundec-3-enyl]benzene
CID 15180602
[(Z)-4-ethoxy-5,5,6,6,6-pentafluorohex-3-enyl]benzene
CID 15651901
[(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene
CID 15651902
p-Methoxypropenylbenzol
CID 27791
1-Fluoro-4-[(Z)-2-methoxyethenyl]benzene
CID 573230

Frequently Asked Questions

What is the IUPAC name of [(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene?
The IUPAC name of [(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene (CID 134879406) is [(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene.
What is the SMILES notation for [(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene?
The canonical SMILES for [(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene is C/C=C/CO/C(=C/CCc1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene?
The InChIKey is JTONOBSLKADTEI-GJFJKGJZSA-N. The full InChI is InChI=1S/C15H17F3O/c1-2-3-12-19-14(15(16,17)18)11-7-10-13-8-5-4-6-9-13/h2-6,8-9,11H,7,10,12H2,1H3/b3-2+,14-11+.
What are the key properties of [(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene?
[(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene has a molecular weight of 270.29 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-[(E)-but-2-enoxy]-5,5,5-trifluoropent-3-enyl]benzene is sourced from PubChem (CID 134879406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).