N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H16F3NO2S — CID 71796112

IUPACN-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1cccs1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C13H16F3NO2S/c14-13(15,16)9-17(10-3-5-19-6-4-10)12(18)8-11-2-1-7-20-11/h1-2,7,10H,3-6,8-9H2
InChIKeyZNUYNQTYEXRVNG-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.86
Rot. Bonds4

About N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide

N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71796112) has the molecular formula C13H16F3NO2S and a molecular weight of 307.34 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71796112
Molecular FormulaC13H16F3NO2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC NameN-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1cccs1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C13H16F3NO2S/c14-13(15,16)9-17(10-3-5-19-6-4-10)12(18)8-11-2-1-7-20-11/h1-2,7,10H,3-6,8-9H2
InChIKeyZNUYNQTYEXRVNG-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 71796112) is N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1cccs1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZNUYNQTYEXRVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2S/c14-13(15,16)9-17(10-3-5-19-6-4-10)12(18)8-11-2-1-7-20-11/h1-2,7,10H,3-6,8-9H2.
What are the key properties of N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 307.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71796112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).