(5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H12BrF3N2OS — CID 60735736

IUPAC(5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1csc(Br)c1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H12BrF3N2OS/c12-9-5-8(6-19-9)10(18)17-3-1-16(2-4-17)7-11(13,14)15/h5-6H,1-4,7H2
InChIKeyAVPNKCFGFMPSNU-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.83
Rot. Bonds2

About (5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 60735736) has the molecular formula C11H12BrF3N2OS and a molecular weight of 357.20 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID60735736
Molecular FormulaC11H12BrF3N2OS
Molecular Weight357.20 g/mol
Exact Mass355.98
IUPAC Name(5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1csc(Br)c1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H12BrF3N2OS/c12-9-5-8(6-19-9)10(18)17-3-1-16(2-4-17)7-11(13,14)15/h5-6H,1-4,7H2
InChIKeyAVPNKCFGFMPSNU-UHFFFAOYSA-N
XLogP2.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 60735736) is (5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(c1csc(Br)c1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is AVPNKCFGFMPSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2OS/c12-9-5-8(6-19-9)10(18)17-3-1-16(2-4-17)7-11(13,14)15/h5-6H,1-4,7H2.
What are the key properties of (5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 357.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60735736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).