1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene

C21H14F4 — CID 21274975

IUPAC1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
SMILESFc1ccc(/C(=C(/c2ccccc2)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C21H14F4/c22-18-13-11-16(12-14-18)19(15-7-3-1-4-8-15)20(21(23,24)25)17-9-5-2-6-10-17/h1-14H/b20-19-
InChIKeyCNYKYXANFLSTCU-VXPUYCOJSA-N
MW342.34 g/mol
LogP6.35
Rot. Bonds3

About 1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene

1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene (PubChem CID 21274975) has the molecular formula C21H14F4 and a molecular weight of 342.34 g/mol. Its IUPAC name is 1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
PubChem CID21274975
Molecular FormulaC21H14F4
Molecular Weight342.34 g/mol
Exact Mass342.10
IUPAC Name1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
SMILESFc1ccc(/C(=C(/c2ccccc2)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C21H14F4/c22-18-13-11-16(12-14-18)19(15-7-3-1-4-8-15)20(21(23,24)25)17-9-5-2-6-10-17/h1-14H/b20-19-
InChIKeyCNYKYXANFLSTCU-VXPUYCOJSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
The IUPAC name of 1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene (CID 21274975) is 1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
The canonical SMILES for 1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene is Fc1ccc(/C(=C(/c2ccccc2)C(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
The InChIKey is CNYKYXANFLSTCU-VXPUYCOJSA-N. The full InChI is InChI=1S/C21H14F4/c22-18-13-11-16(12-14-18)19(15-7-3-1-4-8-15)20(21(23,24)25)17-9-5-2-6-10-17/h1-14H/b20-19-.
What are the key properties of 1-fluoro-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene?
1-fluoro-4-[(Z)-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-4-[(Z)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene is sourced from PubChem (CID 21274975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).