(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone

C15H7BrF2OS — CID 106647478

IUPAC(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2ccc(F)cc2s1)c1cccc(Br)c1F
InChIInChI=1S/C15H7BrF2OS/c16-11-3-1-2-10(14(11)18)15(19)13-6-8-4-5-9(17)7-12(8)20-13/h1-7H
InChIKeyHRMABZXIDVCCHK-UHFFFAOYSA-N
MW353.19 g/mol
LogP5.17
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone

(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 106647478) has the molecular formula C15H7BrF2OS and a molecular weight of 353.19 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID106647478
Molecular FormulaC15H7BrF2OS
Molecular Weight353.19 g/mol
Exact Mass351.94
IUPAC Name(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2ccc(F)cc2s1)c1cccc(Br)c1F
InChIInChI=1S/C15H7BrF2OS/c16-11-3-1-2-10(14(11)18)15(19)13-6-8-4-5-9(17)7-12(8)20-13/h1-7H
InChIKeyHRMABZXIDVCCHK-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.19
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215
(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81104851
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
(2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81115002
(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107949788
(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 115803566
(5-bromo-3-methyltriazol-4-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106464325
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949792
(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
6-fluoro-1-benzothiophene-2-carbonyl azide
CID 81105011

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone (CID 106647478) is (3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone is O=C(c1cc2ccc(F)cc2s1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is HRMABZXIDVCCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrF2OS/c16-11-3-1-2-10(14(11)18)15(19)13-6-8-4-5-9(17)7-12(8)20-13/h1-7H.
What are the key properties of (3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 353.19 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 106647478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).