1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene

C16H13F3 — CID 122231581

IUPAC1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H13F3/c17-16(18,19)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H,12H2/b7-6+
InChIKeyKIQGSLOVFZODBM-VOTSOKGWSA-N
MW262.27 g/mol
LogP4.96
Rot. Bonds3

About 1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene

1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene (PubChem CID 122231581) has the molecular formula C16H13F3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene
PubChem CID122231581
Molecular FormulaC16H13F3
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H13F3/c17-16(18,19)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H,12H2/b7-6+
InChIKeyKIQGSLOVFZODBM-VOTSOKGWSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
[(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene
CID 122230138
CID 70567885
CID 70567885
CID 70569152
CID 70569152
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
4-(2-phenylethenyl)aniline
CID 13265
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
CID 142549273
[(Z)-2-(2,2,2-trifluoroethylsulfanyl)ethenyl]benzene
CID 101442160
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene (CID 122231581) is 1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene is FC(F)(F)Cc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene?
The InChIKey is KIQGSLOVFZODBM-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H13F3/c17-16(18,19)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H,12H2/b7-6+.
What are the key properties of 1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene?
1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene has a molecular weight of 262.27 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 122231581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).