N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide

C8H7ClF3NOS — CID 62726914

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C8H7ClF3NOS/c1-4(5-2-3-6(9)15-5)13-7(14)8(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyVQWJHGNBHPDXTC-UHFFFAOYSA-N
MW257.66 g/mol
LogP3.14
Rot. Bonds2

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 62726914) has the molecular formula C8H7ClF3NOS and a molecular weight of 257.66 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID62726914
Molecular FormulaC8H7ClF3NOS
Molecular Weight257.66 g/mol
Exact Mass256.99
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C8H7ClF3NOS/c1-4(5-2-3-6(9)15-5)13-7(14)8(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyVQWJHGNBHPDXTC-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.66
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide (CID 62726914) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide is CC(NC(=O)C(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is VQWJHGNBHPDXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NOS/c1-4(5-2-3-6(9)15-5)13-7(14)8(10,11)12/h2-4H,1H3,(H,13,14).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 257.66 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62726914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).