N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide

C12H16F3NO2S — CID 103857513

IUPACN-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCCc1cccs1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H16F3NO2S/c13-12(14,15)9-16(6-7-17)11(18)5-1-3-10-4-2-8-19-10/h2,4,8,17H,1,3,5-7,9H2
InChIKeyVKTFRLVRKOUAHR-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.45
Rot. Bonds7

About N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide

N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103857513) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103857513
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC NameN-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCCc1cccs1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H16F3NO2S/c13-12(14,15)9-16(6-7-17)11(18)5-1-3-10-4-2-8-19-10/h2,4,8,17H,1,3,5-7,9H2
InChIKeyVKTFRLVRKOUAHR-UHFFFAOYSA-N
XLogP2.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one
CID 155523085
2,2-Difluoro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 134861849
2,2-difluoro-N,N-bis(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 10946296
N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide
CID 11806571
N-(2-hydroxyethyl)-2-(thiophen-2-yl)acetamide
CID 4315433
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 60211629
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 64591174
N-ethyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 78858647
N-ethyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 78858748
N-ethyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 78858750
N-butyl-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 78868550
N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 78869021

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 103857513) is N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide is O=C(CCCc1cccs1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is VKTFRLVRKOUAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S/c13-12(14,15)9-16(6-7-17)11(18)5-1-3-10-4-2-8-19-10/h2,4,8,17H,1,3,5-7,9H2.
What are the key properties of N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 295.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103857513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).