(5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone

C13H7BrFNOS — CID 63839820

IUPAC(5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(Br)s1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H7BrFNOS/c14-12-4-3-11(18-12)13(17)9-6-16-10-2-1-7(15)5-8(9)10/h1-6,16H
InChIKeyUCIWVGARUBLFFF-UHFFFAOYSA-N
MW324.17 g/mol
LogP4.36
Rot. Bonds2

About (5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone

(5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone (PubChem CID 63839820) has the molecular formula C13H7BrFNOS and a molecular weight of 324.17 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone
PubChem CID63839820
Molecular FormulaC13H7BrFNOS
Molecular Weight324.17 g/mol
Exact Mass322.94
IUPAC Name(5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(Br)s1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H7BrFNOS/c14-12-4-3-11(18-12)13(17)9-6-16-10-2-1-7(15)5-8(9)10/h1-6,16H
InChIKeyUCIWVGARUBLFFF-UHFFFAOYSA-N
XLogP4.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107960033
(5-bromo-1H-indol-3-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278577
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
(3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107874166
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone
CID 63841276
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone (CID 63839820) is (5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone is O=C(c1ccc(Br)s1)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of (5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone?
The InChIKey is UCIWVGARUBLFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFNOS/c14-12-4-3-11(18-12)13(17)9-6-16-10-2-1-7(15)5-8(9)10/h1-6,16H.
What are the key properties of (5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone?
(5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone has a molecular weight of 324.17 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 63839820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).