5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran

C9H6BrF3O — CID 123480646

IUPAC5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran
SMILESFC(F)(F)c1c(Br)ccc2c1COC2
InChIInChI=1S/C9H6BrF3O/c10-7-2-1-5-3-14-4-6(5)8(7)9(11,12)13/h1-2H,3-4H2
InChIKeyKBOWQRIFDMGUKE-UHFFFAOYSA-N
MW267.04 g/mol
LogP3.50
Rot. Bonds

About 5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran

5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran (PubChem CID 123480646) has the molecular formula C9H6BrF3O and a molecular weight of 267.04 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran
PubChem CID123480646
Molecular FormulaC9H6BrF3O
Molecular Weight267.04 g/mol
Exact Mass265.96
IUPAC Name5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran
SMILESFC(F)(F)c1c(Br)ccc2c1COC2
InChIInChI=1S/C9H6BrF3O/c10-7-2-1-5-3-14-4-6(5)8(7)9(11,12)13/h1-2H,3-4H2
InChIKeyKBOWQRIFDMGUKE-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.04
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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-1,3-dihydroisobenzofuran
CID 74787761
2-Bromo-7-(trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene
CID 59030767
2-Bromo-6-(trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene
CID 59030836
1,4-Epoxynaphthalene, 6,7-dibromo-1,4-dihydro-
CID 3254947
(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
(3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran
CID 135022521
5-Bromo-1,4-dihydro-1,4-epoxynaphthalene
CID 15710109

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran (CID 123480646) is 5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran is FC(F)(F)c1c(Br)ccc2c1COC2.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The InChIKey is KBOWQRIFDMGUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O/c10-7-2-1-5-3-14-4-6(5)8(7)9(11,12)13/h1-2H,3-4H2.
What are the key properties of 5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran has a molecular weight of 267.04 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 123480646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).