5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran

C9H6BrF3O — CID 123362217

IUPAC5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran
SMILESFC(F)(F)c1cc2c(cc1Br)COC2
InChIInChI=1S/C9H6BrF3O/c10-8-2-6-4-14-3-5(6)1-7(8)9(11,12)13/h1-2H,3-4H2
InChIKeyZWBPAVHTYUHZPY-UHFFFAOYSA-N
MW267.04 g/mol
LogP3.50
Rot. Bonds

About 5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran

5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran (PubChem CID 123362217) has the molecular formula C9H6BrF3O and a molecular weight of 267.04 g/mol. Its IUPAC name is 5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran
PubChem CID123362217
Molecular FormulaC9H6BrF3O
Molecular Weight267.04 g/mol
Exact Mass265.96
IUPAC Name5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran
SMILESFC(F)(F)c1cc2c(cc1Br)COC2
InChIInChI=1S/C9H6BrF3O/c10-8-2-6-4-14-3-5(6)1-7(8)9(11,12)13/h1-2H,3-4H2
InChIKeyZWBPAVHTYUHZPY-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
(1S)-5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 29922586
5-Bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran
CID 11323819
1(3H)-Isobenzofuranone, 5-bromo-6-(trifluoromethyl)-
CID 67515875
5-Bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 70120162
1-bromo-5-methyl-3,3-bis(trifluoromethyl)-1H-2-benzofuran
CID 89344195
5-Bromo-1,1,3,3-tetrafluoro-1,3-dihydro-2-benzofuran
CID 90076653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran (CID 123362217) is 5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran is FC(F)(F)c1cc2c(cc1Br)COC2.
What is the InChIKey of 5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The InChIKey is ZWBPAVHTYUHZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O/c10-8-2-6-4-14-3-5(6)1-7(8)9(11,12)13/h1-2H,3-4H2.
What are the key properties of 5-bromo-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
5-bromo-6-(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-6-(trifluoromethyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 123362217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).