2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide

C9H7F4NOS — CID 142667086

IUPAC2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)C(F)(F)F)cc1F
InChIInChI=1S/C9H7F4NOS/c1-16-7-3-2-5(4-6(7)10)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyIMUVOLZULUCKSX-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.05
Rot. Bonds2

About 2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide

2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide (PubChem CID 142667086) has the molecular formula C9H7F4NOS and a molecular weight of 253.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide
PubChem CID142667086
Molecular FormulaC9H7F4NOS
Molecular Weight253.22 g/mol
Exact Mass253.02
IUPAC Name2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)C(F)(F)F)cc1F
InChIInChI=1S/C9H7F4NOS/c1-16-7-3-2-5(4-6(7)10)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyIMUVOLZULUCKSX-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2-[[2-carbamoyl-4-[(2,2,2-trifluoroacetyl)amino]phenyl]disulfanyl]-5-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 6483554
2,2,2-trifluoro-N'-(3-fluoro-4-methylsulfanylanilino)ethanimidamide
CID 10015803
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
N-(4-fluoro-3-methylsulfanylphenyl)acetamide
CID 91881077
N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 19958570
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
CID 131964350
N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 3369312

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide (CID 142667086) is 2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)C(F)(F)F)cc1F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide?
The InChIKey is IMUVOLZULUCKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NOS/c1-16-7-3-2-5(4-6(7)10)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide?
2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide has a molecular weight of 253.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 142667086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).