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

C9H6BrF3O — CID 163394127

IUPAC6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran
SMILESFC(F)(F)C1OCc2ccc(Br)cc21
InChIInChI=1S/C9H6BrF3O/c10-6-2-1-5-4-14-8(7(5)3-6)9(11,12)13/h1-3,8H,4H2
InChIKeyLHTYJEKRJROTKA-UHFFFAOYSA-N
MW267.04 g/mol
LogP3.58
Rot. Bonds

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

6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran (PubChem CID 163394127) has the molecular formula C9H6BrF3O and a molecular weight of 267.04 g/mol. Its IUPAC name is 6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran
PubChem CID163394127
Molecular FormulaC9H6BrF3O
Molecular Weight267.04 g/mol
Exact Mass265.96
IUPAC Name6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran
SMILESFC(F)(F)C1OCc2ccc(Br)cc21
InChIInChI=1S/C9H6BrF3O/c10-6-2-1-5-4-14-8(7(5)3-6)9(11,12)13/h1-3,8H,4H2
InChIKeyLHTYJEKRJROTKA-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Bromophenyl)oxolane
CID 14653181
1-Bromo-4-[(trifluoromethoxy) methyl]benzene
CID 121235500
5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
7-bromo-3,4-dihydro-1H-2-benzopyran
CID 10560525
5-Bromo-1,3-dihydro-2-benzofuran
CID 52988095
6-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuran
CID 57803842
1-Bromo-4-[(difluoromethoxy)methyl]benzene
CID 59317853
1-Bromo-4-((2,2,2-trifluoroethoxy)methyl)benzene
CID 61531965
5-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuran
CID 68488208
4-Bromo-1,3-dihydroisobenzofuran
CID 74787761
4-Bromo-11-oxatricyclo[6.2.1.0,2,7]undeca-2,4,6-triene
CID 90076640
2-(4-Bromo-2-methylphenyl)oxirane
CID 130949620

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran (CID 163394127) is 6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran is FC(F)(F)C1OCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
The InChIKey is LHTYJEKRJROTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O/c10-6-2-1-5-4-14-8(7(5)3-6)9(11,12)13/h1-3,8H,4H2.
What are the key properties of 6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran?
6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran has a molecular weight of 267.04 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 163394127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).