(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C16H15F4NOS — CID 42919337

IUPAC(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC(C(F)(F)F)C2)sc2cccc(F)c12
InChIInChI=1S/C16H15F4NOS/c1-9-13-11(17)5-2-6-12(13)23-14(9)15(22)21-7-3-4-10(8-21)16(18,19)20/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyBOOSYYQCKZYBLB-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.76
Rot. Bonds1

About (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 42919337) has the molecular formula C16H15F4NOS and a molecular weight of 345.36 g/mol. Its IUPAC name is (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID42919337
Molecular FormulaC16H15F4NOS
Molecular Weight345.36 g/mol
Exact Mass345.08
IUPAC Name(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC(C(F)(F)F)C2)sc2cccc(F)c12
InChIInChI=1S/C16H15F4NOS/c1-9-13-11(17)5-2-6-12(13)23-14(9)15(22)21-7-3-4-10(8-21)16(18,19)20/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyBOOSYYQCKZYBLB-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
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-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 42919337) is (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCCC(C(F)(F)F)C2)sc2cccc(F)c12.
What is the InChIKey of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is BOOSYYQCKZYBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NOS/c1-9-13-11(17)5-2-6-12(13)23-14(9)15(22)21-7-3-4-10(8-21)16(18,19)20/h2,5-6,10H,3-4,7-8H2,1H3.
What are the key properties of (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 345.36 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 42919337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).