1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene

C16H13F3O — CID 122222314

IUPAC1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene
SMILESFC(F)(F)/C=C/COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H13F3O/c17-16(18,19)11-4-12-20-15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-11H,12H2/b11-4+
InChIKeyDSKHTBMLKHRDRM-NYYWCZLTSA-N
MW278.27 g/mol
LogP4.85
Rot. Bonds4

About 1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene

1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene (PubChem CID 122222314) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene.

Molecular Properties

Compound Name1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene
PubChem CID122222314
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene
SMILESFC(F)(F)/C=C/COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H13F3O/c17-16(18,19)11-4-12-20-15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-11H,12H2/b11-4+
InChIKeyDSKHTBMLKHRDRM-NYYWCZLTSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-pentyl-2-[4-[4-(4,4,4-trifluorobut-2-enoxy)phenyl]phenyl]pyrimidine
CID 54493706
1-pentyl-4-[4-[4-(4,4,4-trifluorobut-2-enoxy)phenyl]phenyl]bicyclo[2.2.2]octane
CID 70191386
(E)-3-ethyl-6-phenoxyhex-4-en-3-ol
CID 15356978
CID 174846151
CID 174846151
(4-phenylphenoxy)methanol
CID 71028246
1-nonyl-4-[2-[4-[(E)-4,4,4-trifluorobut-2-enoxy]phenyl]ethynyl]benzene
CID 139983619
potassium trifluoro-[(4-phenylphenoxy)methyl]boranuide
CID 63705482
[(E)-4,4,4-trifluorobut-2-enyl] benzoate
CID 59287958
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
but-2-enoxybenzene
CID 564963
5,10,15-triphenyl-20-(4-prop-2-enoxyphenyl)-21,23-dihydroporphyrin
CID 136732211
phenol;4-prop-2-enoxyphenol
CID 70303777

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene?
The IUPAC name of 1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene (CID 122222314) is 1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene.
What is the SMILES notation for 1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene?
The canonical SMILES for 1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene is FC(F)(F)/C=C/COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene?
The InChIKey is DSKHTBMLKHRDRM-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H13F3O/c17-16(18,19)11-4-12-20-15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-11H,12H2/b11-4+.
What are the key properties of 1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene?
1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene has a molecular weight of 278.27 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]benzene is sourced from PubChem (CID 122222314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).