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

C22H16F4O — CID 21274917

IUPAC1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene
SMILESCOc1ccc(/C(=C(\c2ccccc2)C(F)(F)F)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16F4O/c1-27-19-13-9-16(10-14-19)20(15-7-11-18(23)12-8-15)21(22(24,25)26)17-5-3-2-4-6-17/h2-14H,1H3/b21-20+
InChIKeyCFGFVCRICOEJSC-QZQOTICOSA-N
MW372.36 g/mol
LogP6.36
Rot. Bonds4

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

1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene (PubChem CID 21274917) has the molecular formula C22H16F4O and a molecular weight of 372.36 g/mol. Its IUPAC name is 1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene
PubChem CID21274917
Molecular FormulaC22H16F4O
Molecular Weight372.36 g/mol
Exact Mass372.11
IUPAC Name1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene
SMILESCOc1ccc(/C(=C(\c2ccccc2)C(F)(F)F)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16F4O/c1-27-19-13-9-16(10-14-19)20(15-7-11-18(23)12-8-15)21(22(24,25)26)17-5-3-2-4-6-17/h2-14H,1H3/b21-20+
InChIKeyCFGFVCRICOEJSC-QZQOTICOSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.36
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(E)-3,3,3-trifluoro-2-phenyl-1-phenylsulfanylprop-1-enyl]benzene
CID 102466577
1-[2,2-difluoro-1-(4-fluorophenyl)ethenyl]-4-methoxybenzene
CID 11623099
1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene
CID 10958235
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
1-[(Z)-4-bromo-1,1,1-trifluoro-3-phenylsulfanylbut-2-en-2-yl]-4-methoxybenzene
CID 101381812
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene
CID 54272184
1-[(E)-1-bromo-4,4,4-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]-4-methoxybenzene
CID 10949406
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
CID 54202264
3-[2-[4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]phenoxy]ethylamino]propan-1-ol
CID 70377420
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene?
The IUPAC name of 1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene (CID 21274917) is 1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene?
The canonical SMILES for 1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene is COc1ccc(/C(=C(\c2ccccc2)C(F)(F)F)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene?
The InChIKey is CFGFVCRICOEJSC-QZQOTICOSA-N. The full InChI is InChI=1S/C22H16F4O/c1-27-19-13-9-16(10-14-19)20(15-7-11-18(23)12-8-15)21(22(24,25)26)17-5-3-2-4-6-17/h2-14H,1H3/b21-20+.
What are the key properties of 1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene?
1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene has a molecular weight of 372.36 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene is sourced from PubChem (CID 21274917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).