5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran

C16H12BrF3O2 — CID 141414354

IUPAC5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran
SMILESFC(F)(F)Oc1ccc(Cc2cc(Br)cc3c2OCC3)cc1
InChIInChI=1S/C16H12BrF3O2/c17-13-8-11-5-6-21-15(11)12(9-13)7-10-1-3-14(4-2-10)22-16(18,19)20/h1-4,8-9H,5-7H2
InChIKeyRWDRTVDCENIXHN-UHFFFAOYSA-N
MW373.17 g/mol
LogP4.87
Rot. Bonds3

About 5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran

5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran (PubChem CID 141414354) has the molecular formula C16H12BrF3O2 and a molecular weight of 373.17 g/mol. Its IUPAC name is 5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran
PubChem CID141414354
Molecular FormulaC16H12BrF3O2
Molecular Weight373.17 g/mol
Exact Mass372.00
IUPAC Name5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran
SMILESFC(F)(F)Oc1ccc(Cc2cc(Br)cc3c2OCC3)cc1
InChIInChI=1S/C16H12BrF3O2/c17-13-8-11-5-6-21-15(11)12(9-13)7-10-1-3-14(4-2-10)22-16(18,19)20/h1-4,8-9H,5-7H2
InChIKeyRWDRTVDCENIXHN-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol
CID 107709496
5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 107691282
5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 107661972
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 113449635
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529509
3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 104702462
N-[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
CID 113403564
[5-(methylaminomethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-4-yl]methanol
CID 168825747
2-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 104702554
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178502
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 67458560
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethylpentane-2,3-diol
CID 103449362

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran (CID 141414354) is 5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran is FC(F)(F)Oc1ccc(Cc2cc(Br)cc3c2OCC3)cc1.
What is the InChIKey of 5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is RWDRTVDCENIXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3O2/c17-13-8-11-5-6-21-15(11)12(9-13)7-10-1-3-14(4-2-10)22-16(18,19)20/h1-4,8-9H,5-7H2.
What are the key properties of 5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 373.17 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 141414354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).