(4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone

C12H6BrF3OS — CID 115784148

IUPAC(4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cscc1Br
InChIInChI=1S/C12H6BrF3OS/c13-10-6-18-5-9(10)11(17)7-1-3-8(4-2-7)12(14,15)16/h1-6H
InChIKeyMAWQNGNNDQVLJW-UHFFFAOYSA-N
MW335.14 g/mol
LogP4.76
Rot. Bonds2

About (4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone

(4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 115784148) has the molecular formula C12H6BrF3OS and a molecular weight of 335.14 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID115784148
Molecular FormulaC12H6BrF3OS
Molecular Weight335.14 g/mol
Exact Mass333.93
IUPAC Name(4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cscc1Br
InChIInChI=1S/C12H6BrF3OS/c13-10-6-18-5-9(10)11(17)7-1-3-8(4-2-7)12(14,15)16/h1-6H
InChIKeyMAWQNGNNDQVLJW-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 115784148) is (4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is MAWQNGNNDQVLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3OS/c13-10-6-18-5-9(10)11(17)7-1-3-8(4-2-7)12(14,15)16/h1-6H.
What are the key properties of (4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 335.14 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 115784148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).