(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C11H10Br2F3NOS — CID 79036661

IUPAC(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)c(Br)s1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H10Br2F3NOS/c12-7-5-8(19-9(7)13)10(18)17-3-1-6(2-4-17)11(14,15)16/h5-6H,1-4H2
InChIKeyQLVHDOMGJSZEQV-UHFFFAOYSA-N
MW421.08 g/mol
LogP4.69
Rot. Bonds1

About (4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 79036661) has the molecular formula C11H10Br2F3NOS and a molecular weight of 421.08 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID79036661
Molecular FormulaC11H10Br2F3NOS
Molecular Weight421.08 g/mol
Exact Mass418.88
IUPAC Name(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)c(Br)s1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H10Br2F3NOS/c12-7-5-8(19-9(7)13)10(18)17-3-1-6(2-4-17)11(14,15)16/h5-6H,1-4H2
InChIKeyQLVHDOMGJSZEQV-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.08
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537560
(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone
CID 47131293
(4,5-dibromothiophen-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030031
(4,5-dibromothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 78968328
[4-(1-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537973
(4,5-dibromothiophen-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678693
(4,5-dibromothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900858
(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 115772185
(4,5-dibromothiophen-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552409
N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 112723098
(4,5-dibromothiophen-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 78967348
(4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43390963

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 79036661) is (4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cc(Br)c(Br)s1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is QLVHDOMGJSZEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2F3NOS/c12-7-5-8(19-9(7)13)10(18)17-3-1-6(2-4-17)11(14,15)16/h5-6H,1-4H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 421.08 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 79036661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).