2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one

C10H10F3NOS — CID 82383175

IUPAC2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one
SMILESO=C1CCNC(c2sccc2C(F)(F)F)C1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)7-2-4-16-9(7)8-5-6(15)1-3-14-8/h2,4,8,14H,1,3,5H2
InChIKeyGMGZYNUNGLANAI-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.76
Rot. Bonds1

About 2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one

2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one (PubChem CID 82383175) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one
PubChem CID82383175
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one
SMILESO=C1CCNC(c2sccc2C(F)(F)F)C1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)7-2-4-16-9(7)8-5-6(15)1-3-14-8/h2,4,8,14H,1,3,5H2
InChIKeyGMGZYNUNGLANAI-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)phenyl]piperidin-4-one
CID 75982795
2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one
CID 82388922
(2R)-2-phenylpiperidin-4-one
CID 86319056
2-(6-fluoro-3-pyridinyl)piperidin-4-one
CID 82401375
2-(2-hydroxyphenyl)piperidin-4-one
CID 75982706
7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763630
2-(6-methyl-2-pyridinyl)piperidin-4-one
CID 82403926
2-(1,3-oxazol-4-yl)piperidin-4-one
CID 82414305
(2R)-2-tert-butylpiperidin-4-one
CID 86332731
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
CID 66519144
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196281
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one?
The IUPAC name of 2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one (CID 82383175) is 2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one?
The canonical SMILES for 2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one is O=C1CCNC(c2sccc2C(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one?
The InChIKey is GMGZYNUNGLANAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)7-2-4-16-9(7)8-5-6(15)1-3-14-8/h2,4,8,14H,1,3,5H2.
What are the key properties of 2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one?
2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one has a molecular weight of 249.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one is sourced from PubChem (CID 82383175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).