2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone

C13H14F3NO2S — CID 91232807

IUPAC2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone
SMILESCC1CCCCN1C(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C13H14F3NO2S/c1-8-4-2-3-7-17(8)12(19)10-6-5-9(20-10)11(18)13(14,15)16/h5-6,8H,2-4,7H2,1H3
InChIKeyWAUGWEMPWAPSQT-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.51
Rot. Bonds2

About 2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone (PubChem CID 91232807) has the molecular formula C13H14F3NO2S and a molecular weight of 305.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone
PubChem CID91232807
Molecular FormulaC13H14F3NO2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC Name2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone
SMILESCC1CCCCN1C(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C13H14F3NO2S/c1-8-4-2-3-7-17(8)12(19)10-6-5-9(20-10)11(18)13(14,15)16/h5-6,8H,2-4,7H2,1H3
InChIKeyWAUGWEMPWAPSQT-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 18711915
1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
CID 87353169
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylazepan-1-yl)methanone
CID 79883942
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760
2,2,2-trifluoro-1-[5-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 69184024
2,2,2-trifluoro-1-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 67315412
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 171928264
[3-amino-4-(trifluoromethyl)phenyl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 172649573
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2129746
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 18711890

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone (CID 91232807) is 2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone is CC1CCCCN1C(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone?
The InChIKey is WAUGWEMPWAPSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2S/c1-8-4-2-3-7-17(8)12(19)10-6-5-9(20-10)11(18)13(14,15)16/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone has a molecular weight of 305.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 91232807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).