(3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone

C15H8BrFOS — CID 66608788

IUPAC(3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H8BrFOS/c16-11-3-1-2-10(6-11)15(18)14-7-9-4-5-12(17)8-13(9)19-14/h1-8H
InChIKeyOIQWRAKXTOXDNO-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.03
Rot. Bonds2

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

(3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 66608788) has the molecular formula C15H8BrFOS and a molecular weight of 335.20 g/mol. Its IUPAC name is (3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID66608788
Molecular FormulaC15H8BrFOS
Molecular Weight335.20 g/mol
Exact Mass333.95
IUPAC Name(3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H8BrFOS/c16-11-3-1-2-10(6-11)15(18)14-7-9-4-5-12(17)8-13(9)19-14/h1-8H
InChIKeyOIQWRAKXTOXDNO-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.20
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone (CID 66608788) is (3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone is O=C(c1cccc(Br)c1)c1cc2ccc(F)cc2s1.
What is the InChIKey of (3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is OIQWRAKXTOXDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFOS/c16-11-3-1-2-10(6-11)15(18)14-7-9-4-5-12(17)8-13(9)19-14/h1-8H.
What are the key properties of (3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
(3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 335.20 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 66608788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).