N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide

C12H14F3NO2S — CID 121387240

IUPACN-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)CC(F)(F)F)c(C)cc1C
InChIInChI=1S/C12H14F3NO2S/c1-7-4-8(2)11(5-10(7)16-9(3)17)19(18)6-12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyCFDGUIAVVLAASE-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.93
Rot. Bonds3

About N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide

N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide (PubChem CID 121387240) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide
PubChem CID121387240
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC NameN-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)CC(F)(F)F)c(C)cc1C
InChIInChI=1S/C12H14F3NO2S/c1-7-4-8(2)11(5-10(7)16-9(3)17)19(18)6-12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyCFDGUIAVVLAASE-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide?
The IUPAC name of N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide (CID 121387240) is N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide.
What is the SMILES notation for N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide?
The canonical SMILES for N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide is CC(=O)Nc1cc(S(=O)CC(F)(F)F)c(C)cc1C.
What is the InChIKey of N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide?
The InChIKey is CFDGUIAVVLAASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c1-7-4-8(2)11(5-10(7)16-9(3)17)19(18)6-12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17).
What are the key properties of N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide?
N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide has a molecular weight of 293.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]acetamide is sourced from PubChem (CID 121387240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).