1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene

C20H13BrF2O2 — CID 53475471

IUPAC1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene
SMILESF/C(Oc1ccc(Br)cc1)=C(\F)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C20H13BrF2O2/c21-15-10-12-16(13-11-15)24-19(22)20(23)25-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H/b20-19-
InChIKeyHEHMSJDRJISCSZ-VXPUYCOJSA-N
MW403.22 g/mol
LogP6.64
Rot. Bonds5

About 1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene

1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene (PubChem CID 53475471) has the molecular formula C20H13BrF2O2 and a molecular weight of 403.22 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene
PubChem CID53475471
Molecular FormulaC20H13BrF2O2
Molecular Weight403.22 g/mol
Exact Mass402.01
IUPAC Name1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene
SMILESF/C(Oc1ccc(Br)cc1)=C(\F)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C20H13BrF2O2/c21-15-10-12-16(13-11-15)24-19(22)20(23)25-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H/b20-19-
InChIKeyHEHMSJDRJISCSZ-VXPUYCOJSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.22
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene?
The IUPAC name of 1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene (CID 53475471) is 1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene.
What is the SMILES notation for 1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene?
The canonical SMILES for 1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene is F/C(Oc1ccc(Br)cc1)=C(\F)Oc1ccccc1-c1ccccc1.
What is the InChIKey of 1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene?
The InChIKey is HEHMSJDRJISCSZ-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H13BrF2O2/c21-15-10-12-16(13-11-15)24-19(22)20(23)25-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H/b20-19-.
What are the key properties of 1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene?
1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene has a molecular weight of 403.22 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene is sourced from PubChem (CID 53475471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).