2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C12H17F3N2O2S — CID 103864932

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c1-16(6-10-2-5-20-8-10)11(19)7-17(3-4-18)9-12(13,14)15/h2,5,8,18H,3-4,6-7,9H2,1H3
InChIKeyLTDNKVBKLMNBTO-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.56
Rot. Bonds7

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 103864932) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID103864932
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c1-16(6-10-2-5-20-8-10)11(19)7-17(3-4-18)9-12(13,14)15/h2,5,8,18H,3-4,6-7,9H2,1H3
InChIKeyLTDNKVBKLMNBTO-UHFFFAOYSA-N
XLogP1.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 103864932) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is LTDNKVBKLMNBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-16(6-10-2-5-20-8-10)11(19)7-17(3-4-18)9-12(13,14)15/h2,5,8,18H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 310.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 103864932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).