2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone

C15H14F3NOS — CID 25023812

IUPAC2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone
SMILESC[C@@H](NCc1ccc(C(=O)C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C15H14F3NOS/c1-10(11-5-3-2-4-6-11)19-9-12-7-8-13(21-12)14(20)15(16,17)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyMSNGIONWKLINQX-SNVBAGLBSA-N
MW313.34 g/mol
LogP4.34
Rot. Bonds5

About 2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone (PubChem CID 25023812) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone
PubChem CID25023812
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone
SMILESC[C@@H](NCc1ccc(C(=O)C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C15H14F3NOS/c1-10(11-5-3-2-4-6-11)19-9-12-7-8-13(21-12)14(20)15(16,17)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyMSNGIONWKLINQX-SNVBAGLBSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone (CID 25023812) is 2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone is C[C@@H](NCc1ccc(C(=O)C(F)(F)F)s1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone?
The InChIKey is MSNGIONWKLINQX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14F3NOS/c1-10(11-5-3-2-4-6-11)19-9-12-7-8-13(21-12)14(20)15(16,17)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone has a molecular weight of 313.34 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 25023812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).