N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide

C10H13F2NO2S — CID 107482811

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(CCO)CC(F)F
InChIInChI=1S/C10H13F2NO2S/c11-9(12)7-13(3-4-14)10(15)6-8-2-1-5-16-8/h1-2,5,9,14H,3-4,6-7H2
InChIKeyRPLDJLNMWFCMRK-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.38
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide (PubChem CID 107482811) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
PubChem CID107482811
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(CCO)CC(F)F
InChIInChI=1S/C10H13F2NO2S/c11-9(12)7-13(3-4-14)10(15)6-8-2-1-5-16-8/h1-2,5,9,14H,3-4,6-7H2
InChIKeyRPLDJLNMWFCMRK-UHFFFAOYSA-N
XLogP1.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide (CID 107482811) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide?
The InChIKey is RPLDJLNMWFCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c11-9(12)7-13(3-4-14)10(15)6-8-2-1-5-16-8/h1-2,5,9,14H,3-4,6-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide has a molecular weight of 249.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 107482811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).