2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone

C18H16F3NO2S — CID 68507690

IUPAC2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone
SMILESO=C(c1cccc(-c2ccc(C(=O)C(F)(F)F)s2)c1)N1CCCCC1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)16(23)15-8-7-14(25-15)12-5-4-6-13(11-12)17(24)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10H2
InChIKeyDTELXOCXLIVOBI-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.79
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone (PubChem CID 68507690) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone
PubChem CID68507690
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone
SMILESO=C(c1cccc(-c2ccc(C(=O)C(F)(F)F)s2)c1)N1CCCCC1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)16(23)15-8-7-14(25-15)12-5-4-6-13(11-12)17(24)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10H2
InChIKeyDTELXOCXLIVOBI-UHFFFAOYSA-N
XLogP4.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one
CID 121494320
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
N-[4-[5-(piperidine-1-carbonyl)thiophen-2-yl]phenyl]benzamide
CID 70036807
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
azepan-1-yl-[3-(3-fluoro-4-methylphenyl)phenyl]methanone
CID 126484495
[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321657
1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide
CID 91837200
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[3-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone
CID 171924705
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone (CID 68507690) is 2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone is O=C(c1cccc(-c2ccc(C(=O)C(F)(F)F)s2)c1)N1CCCCC1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone?
The InChIKey is DTELXOCXLIVOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c19-18(20,21)16(23)15-8-7-14(25-15)12-5-4-6-13(11-12)17(24)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10H2.
What are the key properties of 2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone has a molecular weight of 367.39 g/mol, XLogP of 4.79, 3 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-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 68507690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).