N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide

C10H10F3NOS — CID 62728795

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCc1cc2c(s1)CCC2)C(F)(F)F
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9(15)14-5-7-4-6-2-1-3-8(6)16-7/h4H,1-3,5H2,(H,14,15)
InChIKeyQLORKOGBIYYJLP-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.42
Rot. Bonds2

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 62728795) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide
PubChem CID62728795
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCc1cc2c(s1)CCC2)C(F)(F)F
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9(15)14-5-7-4-6-2-1-3-8(6)16-7/h4H,1-3,5H2,(H,14,15)
InChIKeyQLORKOGBIYYJLP-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide (CID 62728795) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide is O=C(NCc1cc2c(s1)CCC2)C(F)(F)F.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is QLORKOGBIYYJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)9(15)14-5-7-4-6-2-1-3-8(6)16-7/h4H,1-3,5H2,(H,14,15).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 249.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62728795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).