(3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran

C16H10BrF3O — CID 135022521

IUPAC(3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran
SMILESFC(F)(F)C1O/C(=C\c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C16H10BrF3O/c17-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(21-14)16(18,19)20/h1-9,15H/b14-9-
InChIKeyIODAPMOCAMBCFA-ZROIWOOFSA-N
MW355.15 g/mol
LogP5.58
Rot. Bonds1

About (3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran

(3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran (PubChem CID 135022521) has the molecular formula C16H10BrF3O and a molecular weight of 355.15 g/mol. Its IUPAC name is (3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran.

Molecular Properties

Compound Name(3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran
PubChem CID135022521
Molecular FormulaC16H10BrF3O
Molecular Weight355.15 g/mol
Exact Mass353.99
IUPAC Name(3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran
SMILESFC(F)(F)C1O/C(=C\c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C16H10BrF3O/c17-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(21-14)16(18,19)20/h1-9,15H/b14-9-
InChIKeyIODAPMOCAMBCFA-ZROIWOOFSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.15
LogP ≤ 55.58
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

5-Bromo-1,3-dihydro-2-benzofuran
CID 52988095
6-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuran
CID 57803842
5-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuran
CID 68488208
4-Bromo-11-oxatricyclo[6.2.1.0,2,7]undeca-2,4,6-triene
CID 90076640
1-Bromo-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
CID 135060740
1,4-Epoxynaphthalene, 6,7-dibromo-1,4-dihydro-
CID 3254947
1-Bromo-4-[2-bromoethoxy-(4-fluorophenyl)methyl]benzene
CID 13354005
(1S)-5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 29922586
9-Bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 84820381
10-Bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 86052437
(Z)-1-(4-Methylbenzylidene)-3-(trifluoromethyl)-1,3-dihydroisobenzofuran
CID 101876341
(Z)-1-Benzylidene-3-(trifluoromethyl)-1,3-dihydroisobenzofuran
CID 102599943

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran?
The IUPAC name of (3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran (CID 135022521) is (3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran.
What is the SMILES notation for (3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran?
The canonical SMILES for (3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran is FC(F)(F)C1O/C(=C\c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of (3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran?
The InChIKey is IODAPMOCAMBCFA-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H10BrF3O/c17-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(21-14)16(18,19)20/h1-9,15H/b14-9-.
What are the key properties of (3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran?
(3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran has a molecular weight of 355.15 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran is sourced from PubChem (CID 135022521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).