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

C7H5ClF3NOS — CID 62727851

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C7H5ClF3NOS/c8-5-2-1-4(14-5)3-12-6(13)7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyGUGSPUGIBCRPFA-UHFFFAOYSA-N
MW243.64 g/mol
LogP2.58
Rot. Bonds2

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

N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 62727851) has the molecular formula C7H5ClF3NOS and a molecular weight of 243.64 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID62727851
Molecular FormulaC7H5ClF3NOS
Molecular Weight243.64 g/mol
Exact Mass242.97
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C7H5ClF3NOS/c8-5-2-1-4(14-5)3-12-6(13)7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyGUGSPUGIBCRPFA-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide 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-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide (CID 62727851) is N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide is O=C(NCc1ccc(Cl)s1)C(F)(F)F.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is GUGSPUGIBCRPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NOS/c8-5-2-1-4(14-5)3-12-6(13)7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 243.64 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62727851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).