7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran

C16H9BrF4O — CID 68551147

IUPAC7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
SMILESFc1ccc(Br)c2oc(Cc3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C16H9BrF4O/c17-13-4-5-14(18)12-8-11(22-15(12)13)7-9-2-1-3-10(6-9)16(19,20)21/h1-6,8H,7H2
InChIKeyKWMWRZCVEYRWRW-UHFFFAOYSA-N
MW373.14 g/mol
LogP5.94
Rot. Bonds2

About 7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran

7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran (PubChem CID 68551147) has the molecular formula C16H9BrF4O and a molecular weight of 373.14 g/mol. Its IUPAC name is 7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran.

Molecular Properties

Compound Name7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
PubChem CID68551147
Molecular FormulaC16H9BrF4O
Molecular Weight373.14 g/mol
Exact Mass371.98
IUPAC Name7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
SMILESFc1ccc(Br)c2oc(Cc3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C16H9BrF4O/c17-13-4-5-14(18)12-8-11(22-15(12)13)7-9-2-1-3-10(6-9)16(19,20)21/h1-6,8H,7H2
InChIKeyKWMWRZCVEYRWRW-UHFFFAOYSA-N
XLogP5.94
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.14
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,5,5-tetramethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-1,3,2-dioxaborolane
CID 68552876
5-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxylic acid
CID 90399964
5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
CID 115094254
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 29275138
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
(7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid
CID 164895320
3,5-dimethyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]pyrazole-4-carboxylic acid
CID 70922382
[6-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl] trifluoromethanesulfonate
CID 86639192
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66301823
2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 62809900

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The IUPAC name of 7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran (CID 68551147) is 7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran.
What is the SMILES notation for 7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The canonical SMILES for 7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran is Fc1ccc(Br)c2oc(Cc3cccc(C(F)(F)F)c3)cc12.
What is the InChIKey of 7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The InChIKey is KWMWRZCVEYRWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF4O/c17-13-4-5-14(18)12-8-11(22-15(12)13)7-9-2-1-3-10(6-9)16(19,20)21/h1-6,8H,7H2.
What are the key properties of 7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran has a molecular weight of 373.14 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran is sourced from PubChem (CID 68551147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).