1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone

C15H14F3NOS — CID 25023811

IUPAC1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C15H14F3NOS/c1-19(9-11-5-3-2-4-6-11)10-12-7-8-13(21-12)14(20)15(16,17)18/h2-8H,9-10H2,1H3
InChIKeyWIKJTMAEMSPOBF-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.13
Rot. Bonds5

About 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone

1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone (PubChem CID 25023811) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone
PubChem CID25023811
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C15H14F3NOS/c1-19(9-11-5-3-2-4-6-11)10-12-7-8-13(21-12)14(20)15(16,17)18/h2-8H,9-10H2,1H3
InChIKeyWIKJTMAEMSPOBF-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 63377918
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
1-[5-[4-[(dimethylamino)methyl]phenyl]thiophen-2-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroacetic acid
CID 171929917
5-benzylthiophene-2-carbonyl chloride
CID 175504099
N-[(4-methoxyphenyl)methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 67315084
1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
CID 13144636
2-[benzyl(methyl)amino]acetyl chloride
CID 39254606
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
CID 63378189
methyl 4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]butanoate
CID 67323031
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
(E)-1-(5-benzylthiophen-2-yl)-5,5,5-trifluoropent-2-en-1-one
CID 19561482

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone (CID 25023811) is 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone is CN(Cc1ccccc1)Cc1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is WIKJTMAEMSPOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c1-19(9-11-5-3-2-4-6-11)10-12-7-8-13(21-12)14(20)15(16,17)18/h2-8H,9-10H2,1H3.
What are the key properties of 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone?
1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 313.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 25023811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).