N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide

C10H13F2NOS — CID 11806571

IUPACN,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide
SMILESCCN(CC)C(=O)C(F)(F)c1cccs1
InChIInChI=1S/C10H13F2NOS/c1-3-13(4-2)9(14)10(11,12)8-6-5-7-15-8/h5-7H,3-4H2,1-2H3
InChIKeyDFKDBQUHTSLFOQ-UHFFFAOYSA-N
MW233.28 g/mol
LogP2.71
Rot. Bonds4

About N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide

N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide (PubChem CID 11806571) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide
PubChem CID11806571
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC NameN,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide
SMILESCCN(CC)C(=O)C(F)(F)c1cccs1
InChIInChI=1S/C10H13F2NOS/c1-3-13(4-2)9(14)10(11,12)8-6-5-7-15-8/h5-7H,3-4H2,1-2H3
InChIKeyDFKDBQUHTSLFOQ-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide?
The IUPAC name of N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide (CID 11806571) is N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide.
What is the SMILES notation for N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide?
The canonical SMILES for N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide is CCN(CC)C(=O)C(F)(F)c1cccs1.
What is the InChIKey of N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide?
The InChIKey is DFKDBQUHTSLFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c1-3-13(4-2)9(14)10(11,12)8-6-5-7-15-8/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide?
N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide has a molecular weight of 233.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide is sourced from PubChem (CID 11806571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).