2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone

C12H14F3NOS — CID 91815998

IUPAC2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCCCC1C(F)(F)F
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)10-5-1-2-6-16(10)11(17)8-9-4-3-7-18-9/h3-4,7,10H,1-2,5-6,8H2
InChIKeyXFJMDYQKVQEQFT-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.23
Rot. Bonds2

About 2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone

2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 91815998) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID91815998
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCCCC1C(F)(F)F
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)10-5-1-2-6-16(10)11(17)8-9-4-3-7-18-9/h3-4,7,10H,1-2,5-6,8H2
InChIKeyXFJMDYQKVQEQFT-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 39086648
(E)-3-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]prop-2-en-1-one
CID 117054526
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 81483813
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-2-carboxylic acid
CID 107069583
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 110601864
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119650884
1-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 50747412
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70761404
1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 56778999
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 86831977

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone (CID 91815998) is 2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(Cc1cccs1)N1CCCCC1C(F)(F)F.
What is the InChIKey of 2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is XFJMDYQKVQEQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c13-12(14,15)10-5-1-2-6-16(10)11(17)8-9-4-3-7-18-9/h3-4,7,10H,1-2,5-6,8H2.
What are the key properties of 2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone?
2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 277.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91815998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).