1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene

C21H14F4 — CID 102466586

IUPAC1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
SMILESFc1cccc(/C(=C(\c2ccccc2)C(F)(F)F)c2ccccc2)c1
InChIInChI=1S/C21H14F4/c22-18-13-7-12-17(14-18)19(15-8-3-1-4-9-15)20(21(23,24)25)16-10-5-2-6-11-16/h1-14H/b20-19+
InChIKeyBVIMYAVSJMKXID-FMQUCBEESA-N
MW342.34 g/mol
LogP6.35
Rot. Bonds3

About 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene

1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene (PubChem CID 102466586) has the molecular formula C21H14F4 and a molecular weight of 342.34 g/mol. Its IUPAC name is 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
PubChem CID102466586
Molecular FormulaC21H14F4
Molecular Weight342.34 g/mol
Exact Mass342.10
IUPAC Name1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
SMILESFc1cccc(/C(=C(\c2ccccc2)C(F)(F)F)c2ccccc2)c1
InChIInChI=1S/C21H14F4/c22-18-13-7-12-17(14-18)19(15-8-3-1-4-9-15)20(21(23,24)25)16-10-5-2-6-11-16/h1-14H/b20-19+
InChIKeyBVIMYAVSJMKXID-FMQUCBEESA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.34
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
3-fluorobenzoic acid;3-fluoro-5-(trifluoromethyl)benzoic acid
CID 160578219
3-fluorobenzoyl bromide
CID 20822510
2,2,2-trichloro-1-(3-fluorophenyl)ethanone
CID 21200944
2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one
CID 146007001
bismuth tris(3-fluorobenzoate)
CID 132504465
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one
CID 63409962
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
CID 102368693
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
2-(3-fluorophenyl)but-2-enoic acid
CID 67719232
3-fluoro-N-hydroxybenzamide
CID 5082377

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
The IUPAC name of 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene (CID 102466586) is 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
The canonical SMILES for 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene is Fc1cccc(/C(=C(\c2ccccc2)C(F)(F)F)c2ccccc2)c1.
What is the InChIKey of 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
The InChIKey is BVIMYAVSJMKXID-FMQUCBEESA-N. The full InChI is InChI=1S/C21H14F4/c22-18-13-7-12-17(14-18)19(15-8-3-1-4-9-15)20(21(23,24)25)16-10-5-2-6-11-16/h1-14H/b20-19+.
What are the key properties of 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene has a molecular weight of 342.34 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene is sourced from PubChem (CID 102466586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).