N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C7H11ClF3NOS — CID 107492207

IUPACN-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSCC(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C7H11ClF3NOS/c1-14-4-6(13)12(3-2-8)5-7(9,10)11/h2-5H2,1H3
InChIKeyWTWLYKLBLDPWNK-UHFFFAOYSA-N
MW249.68 g/mol
LogP1.98
Rot. Bonds5

About N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107492207) has the molecular formula C7H11ClF3NOS and a molecular weight of 249.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107492207
Molecular FormulaC7H11ClF3NOS
Molecular Weight249.68 g/mol
Exact Mass249.02
IUPAC NameN-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSCC(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C7H11ClF3NOS/c1-14-4-6(13)12(3-2-8)5-7(9,10)11/h2-5H2,1H3
InChIKeyWTWLYKLBLDPWNK-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107492053
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 63307840
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 107492222
4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 63308729
N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 107492227
4-tert-butyl-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492285
2-bromo-N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492061
N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212161
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-1,4-dioxane-2-carboxamide
CID 107492185
2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 107492176
N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107491968

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 107492207) is N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is CSCC(=O)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WTWLYKLBLDPWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF3NOS/c1-14-4-6(13)12(3-2-8)5-7(9,10)11/h2-5H2,1H3.
What are the key properties of N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 249.68 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107492207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).