2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

C11H12F3NOS — CID 62734863

IUPAC2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CN(C)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NOS/c1-15(10(16)11(12,13)14)7-8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyWYQAIUFQEDZVFB-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.93
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 62734863) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID62734863
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CN(C)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NOS/c1-15(10(16)11(12,13)14)7-8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyWYQAIUFQEDZVFB-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62735212
N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62734869
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62492005
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 62733184
2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 54868960
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
N-methyl-N-[(4-methylsulfanylphenyl)methyl]prop-2-enamide
CID 43616405
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
3-amino-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea
CID 115192806
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
CID 43386086
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-sulfanylpropanamide
CID 115167959

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 62734863) is 2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CN(C)C(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is WYQAIUFQEDZVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c1-15(10(16)11(12,13)14)7-8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 263.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 62734863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).