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

C10H11F2NOS — CID 103515564

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide
SMILESO=C(NCc1cc2c(s1)CCC2)C(F)F
InChIInChI=1S/C10H11F2NOS/c11-9(12)10(14)13-5-7-4-6-2-1-3-8(6)15-7/h4,9H,1-3,5H2,(H,13,14)
InChIKeyLDAYAAZGEDOIKB-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.12
Rot. Bonds3

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

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide (PubChem CID 103515564) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide
PubChem CID103515564
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide
SMILESO=C(NCc1cc2c(s1)CCC2)C(F)F
InChIInChI=1S/C10H11F2NOS/c11-9(12)10(14)13-5-7-4-6-2-1-3-8(6)15-7/h4,9H,1-3,5H2,(H,13,14)
InChIKeyLDAYAAZGEDOIKB-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide (CID 103515564) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide is O=C(NCc1cc2c(s1)CCC2)C(F)F.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide?
The InChIKey is LDAYAAZGEDOIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c11-9(12)10(14)13-5-7-4-6-2-1-3-8(6)15-7/h4,9H,1-3,5H2,(H,13,14).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,2-difluoroacetamide has a molecular weight of 231.27 g/mol, XLogP of 2.12, 3 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-difluoroacetamide is sourced from PubChem (CID 103515564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).