3-(4-bromophenyl)-5-fluoro-1-benzofuran

C14H8BrFO — CID 10565480

IUPAC3-(4-bromophenyl)-5-fluoro-1-benzofuran
SMILESFc1ccc2occ(-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C14H8BrFO/c15-10-3-1-9(2-4-10)13-8-17-14-6-5-11(16)7-12(13)14/h1-8H
InChIKeyYWCZWYGAAQTYPT-UHFFFAOYSA-N
MW291.12 g/mol
LogP5.00
Rot. Bonds1

About 3-(4-bromophenyl)-5-fluoro-1-benzofuran

3-(4-bromophenyl)-5-fluoro-1-benzofuran (PubChem CID 10565480) has the molecular formula C14H8BrFO and a molecular weight of 291.12 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-fluoro-1-benzofuran.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-fluoro-1-benzofuran
PubChem CID10565480
Molecular FormulaC14H8BrFO
Molecular Weight291.12 g/mol
Exact Mass289.97
IUPAC Name3-(4-bromophenyl)-5-fluoro-1-benzofuran
SMILESFc1ccc2occ(-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C14H8BrFO/c15-10-3-1-9(2-4-10)13-8-17-14-6-5-11(16)7-12(13)14/h1-8H
InChIKeyYWCZWYGAAQTYPT-UHFFFAOYSA-N
XLogP5.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.12
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(4-methoxyphenyl)-1-benzofuran
CID 58123254
3,5-diphenyl-1-benzofuran
CID 66988357
3-(5-bromo-1H-indol-3-yl)-4-(5-fluoro-1-benzofuran-3-yl)-1-hydroxypyrrole-2,5-dione
CID 172640017
3-(4-bromophenyl)-5-methylfuro[3,2-g]chromen-7-one
CID 1325577
14-(4-bromophenyl)-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-one
CID 1299730
5-fluoro-3-propan-2-yl-1-benzofuran
CID 23568686
5-fluoro-1-benzofuran-3-carbaldehyde
CID 25129802
3-(chloromethyl)-5-fluoro-1-benzofuran
CID 18184314
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluorochromen-4-one
CID 728458
4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol
CID 10780577
6-fluoro-4-sulfanylidenechromene-3-carboxylic acid
CID 57209148
10-(4-fluorophenyl)-1,2,3,4-tetrahydro-[1]benzofuro[6,5-c]isochromen-5-one
CID 707751

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-fluoro-1-benzofuran?
The IUPAC name of 3-(4-bromophenyl)-5-fluoro-1-benzofuran (CID 10565480) is 3-(4-bromophenyl)-5-fluoro-1-benzofuran.
What is the SMILES notation for 3-(4-bromophenyl)-5-fluoro-1-benzofuran?
The canonical SMILES for 3-(4-bromophenyl)-5-fluoro-1-benzofuran is Fc1ccc2occ(-c3ccc(Br)cc3)c2c1.
What is the InChIKey of 3-(4-bromophenyl)-5-fluoro-1-benzofuran?
The InChIKey is YWCZWYGAAQTYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFO/c15-10-3-1-9(2-4-10)13-8-17-14-6-5-11(16)7-12(13)14/h1-8H.
What are the key properties of 3-(4-bromophenyl)-5-fluoro-1-benzofuran?
3-(4-bromophenyl)-5-fluoro-1-benzofuran has a molecular weight of 291.12 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-fluoro-1-benzofuran is sourced from PubChem (CID 10565480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).