1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene

C21H16FI — CID 57332043

IUPAC1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene
SMILESFc1ccc(/C(I)=C\C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16FI/c22-19-13-11-18(12-14-19)21(23)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,20H/b21-15+
InChIKeyQEVOLCKYANBEBV-RCCKNPSSSA-N
MW414.26 g/mol
LogP6.43
Rot. Bonds4

About 1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene

1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene (PubChem CID 57332043) has the molecular formula C21H16FI and a molecular weight of 414.26 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene
PubChem CID57332043
Molecular FormulaC21H16FI
Molecular Weight414.26 g/mol
Exact Mass414.03
IUPAC Name1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene
SMILESFc1ccc(/C(I)=C\C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16FI/c22-19-13-11-18(12-14-19)21(23)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,20H/b21-15+
InChIKeyQEVOLCKYANBEBV-RCCKNPSSSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.26
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(4-fluorophenyl)-2,3-diphenylbutane-1,4-dione
CID 70902431
1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene
CID 132524385
(4-fluorophenyl)-phenylmethanamine
CID 11183272
1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
CID 172688289
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
(3S)-1-(4-fluorophenyl)-3-phenylpent-4-yn-1-one
CID 11982832
1-phenylethyl 2-(4-fluorophenyl)-2-oxoacetate
CID 122376657
1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene
CID 122399471
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide
CID 4790819
(4-fluorophenyl)-phenylmethanone
CID 161464622
[(4-fluorophenyl)-phenylmethyl]chloranium
CID 142220193

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene (CID 57332043) is 1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene is Fc1ccc(/C(I)=C\C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene?
The InChIKey is QEVOLCKYANBEBV-RCCKNPSSSA-N. The full InChI is InChI=1S/C21H16FI/c22-19-13-11-18(12-14-19)21(23)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,20H/b21-15+.
What are the key properties of 1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene?
1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene has a molecular weight of 414.26 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene is sourced from PubChem (CID 57332043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).