1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene

C23H18F3N3O — CID 54272184

IUPAC1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene
SMILES[N-]=[N+]=NCCOc1ccc(C(=C(c2ccccc2)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)22(19-9-5-2-6-10-19)21(17-7-3-1-4-8-17)18-11-13-20(14-12-18)30-16-15-28-29-27/h1-14H,15-16H2
InChIKeyRKXXDPOIOWRHNT-UHFFFAOYSA-N
MW409.41 g/mol
LogP6.90
Rot. Bonds7

About 1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene

1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene (PubChem CID 54272184) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is 1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene.

Molecular Properties

Compound Name1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene
PubChem CID54272184
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene
SMILES[N-]=[N+]=NCCOc1ccc(C(=C(c2ccccc2)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)22(19-9-5-2-6-10-19)21(17-7-3-1-4-8-17)18-11-13-20(14-12-18)30-16-15-28-29-27/h1-14H,15-16H2
InChIKeyRKXXDPOIOWRHNT-UHFFFAOYSA-N
XLogP6.90
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 53348773
1-(6-azidohexoxy)-4-[(E)-2-[4-(6-azidohexoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 102424524
3-[2-[4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]phenoxy]ethylamino]propan-1-ol
CID 70377420
N,N-dimethyl-2-[4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]phenoxy]ethanamine;sulfuric acid
CID 70377377
1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene
CID 21274917
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952
1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 66591459
1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene
CID 132516293
3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 70934822
[4-(sulfanylmethyl)phenyl] 4-(2-azidoethoxy)benzoate
CID 166729841
1-(azidomethyl)-4-[2-[4-(azidomethyl)phenyl]-1,2-diphenylethenyl]benzene
CID 72565768
2-azido-1-(4-phenylmethoxyphenyl)ethanone
CID 71416333

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene?
The IUPAC name of 1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene (CID 54272184) is 1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene.
What is the SMILES notation for 1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene?
The canonical SMILES for 1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene is [N-]=[N+]=NCCOc1ccc(C(=C(c2ccccc2)C(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene?
The InChIKey is RKXXDPOIOWRHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c24-23(25,26)22(19-9-5-2-6-10-19)21(17-7-3-1-4-8-17)18-11-13-20(14-12-18)30-16-15-28-29-27/h1-14H,15-16H2.
What are the key properties of 1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene?
1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene has a molecular weight of 409.41 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene is sourced from PubChem (CID 54272184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).