[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene

C16H13F3 — CID 175788852

IUPAC[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
SMILESFC(F)(F)/C(=C/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H13F3/c17-16(18,19)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,12H,11H2/b15-12+
InChIKeyLZGYPKOHMGPMFA-NTCAYCPXSA-N
MW262.27 g/mol
LogP4.88
Rot. Bonds3

About [(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene

[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene (PubChem CID 175788852) has the molecular formula C16H13F3 and a molecular weight of 262.27 g/mol. Its IUPAC name is [(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
PubChem CID175788852
Molecular FormulaC16H13F3
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
SMILESFC(F)(F)/C(=C/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H13F3/c17-16(18,19)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,12H,11H2/b15-12+
InChIKeyLZGYPKOHMGPMFA-NTCAYCPXSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(Z)-1-fluoro-3-phenylprop-1-enyl]benzene
CID 15892618
(Z)-2,4-diphenylbut-2-en-1-imine
CID 144876754
trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane
CID 177391977
1-amino-3-phenylprop-1-en-1-ol
CID 67202427
(1Z,3E)-3,5-diphenylpenta-1,3-dien-1-amine
CID 145186823
[(Z)-2,4-diphenylbut-2-enyl]-trimethylphosphanium
CID 177487791
2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline
CID 68579329
actinium;(Z)-4-phenylbut-2-en-2-ol
CID 22892787
(Z)-4,4,4-trifluoro-1,3-diphenylbut-2-en-1-ol
CID 15517209
1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
CID 21282190
4,4,4-trifluorobut-2-enylbenzene
CID 12591112
[(Z)-3-iodobut-2-enyl]benzene
CID 166908870

Frequently Asked Questions

What is the IUPAC name of [(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene?
The IUPAC name of [(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene (CID 175788852) is [(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene.
What is the SMILES notation for [(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene?
The canonical SMILES for [(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene is FC(F)(F)/C(=C/Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene?
The InChIKey is LZGYPKOHMGPMFA-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H13F3/c17-16(18,19)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,12H,11H2/b15-12+.
What are the key properties of [(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene?
[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene has a molecular weight of 262.27 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene is sourced from PubChem (CID 175788852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).