1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene

C16H12F4 — CID 102166579

IUPAC1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene
SMILESCc1ccc(/C(=C\F)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H12F4/c1-11-5-7-12(8-6-11)15(10-17)13-3-2-4-14(9-13)16(18,19)20/h2-10H,1H3/b15-10+
InChIKeyOBNUSVDRFXIEGZ-XNTDXEJSSA-N
MW280.26 g/mol
LogP5.37
Rot. Bonds2

About 1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene

1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene (PubChem CID 102166579) has the molecular formula C16H12F4 and a molecular weight of 280.26 g/mol. Its IUPAC name is 1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene
PubChem CID102166579
Molecular FormulaC16H12F4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Name1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene
SMILESCc1ccc(/C(=C\F)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H12F4/c1-11-5-7-12(8-6-11)15(10-17)13-3-2-4-14(9-13)16(18,19)20/h2-10H,1H3/b15-10+
InChIKeyOBNUSVDRFXIEGZ-XNTDXEJSSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.26
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+)
CID 87101532
(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 20838992
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 6437916
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337272
3-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 4184992
(E)-3-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6030994
5-phenyl-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91238764
(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19261685
(E)-1-(4-methylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 2267875

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene (CID 102166579) is 1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene is Cc1ccc(/C(=C\F)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene?
The InChIKey is OBNUSVDRFXIEGZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H12F4/c1-11-5-7-12(8-6-11)15(10-17)13-3-2-4-14(9-13)16(18,19)20/h2-10H,1H3/b15-10+.
What are the key properties of 1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene?
1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene has a molecular weight of 280.26 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 102166579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).