(5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C11H11BrF3NOS — CID 60655871

IUPAC(5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H11BrF3NOS/c12-9-4-3-8(18-9)10(17)16-5-1-2-7(6-16)11(13,14)15/h3-4,7H,1-2,5-6H2
InChIKeyWXVWIWKXFWWZPA-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.93
Rot. Bonds1

About (5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 60655871) has the molecular formula C11H11BrF3NOS and a molecular weight of 342.18 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID60655871
Molecular FormulaC11H11BrF3NOS
Molecular Weight342.18 g/mol
Exact Mass340.97
IUPAC Name(5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H11BrF3NOS/c12-9-4-3-8(18-9)10(17)16-5-1-2-7(6-16)11(13,14)15/h3-4,7H,1-2,5-6H2
InChIKeyWXVWIWKXFWWZPA-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 60655871) is (5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccc(Br)s1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is WXVWIWKXFWWZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NOS/c12-9-4-3-8(18-9)10(17)16-5-1-2-7(6-16)11(13,14)15/h3-4,7H,1-2,5-6H2.
What are the key properties of (5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 342.18 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 60655871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).