4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide

C12H16F3NO2S — CID 90598453

IUPAC4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCOC(CNC(=O)CCC(F)(F)F)c1ccc(C)s1
InChIInChI=1S/C12H16F3NO2S/c1-8-3-4-10(19-8)9(18-2)7-16-11(17)5-6-12(13,14)15/h3-4,9H,5-7H2,1-2H3,(H,16,17)
InChIKeyBGFXKXRJQQEGRG-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.20
Rot. Bonds6

About 4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide

4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide (PubChem CID 90598453) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide
PubChem CID90598453
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCOC(CNC(=O)CCC(F)(F)F)c1ccc(C)s1
InChIInChI=1S/C12H16F3NO2S/c1-8-3-4-10(19-8)9(18-2)7-16-11(17)5-6-12(13,14)15/h3-4,9H,5-7H2,1-2H3,(H,16,17)
InChIKeyBGFXKXRJQQEGRG-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide (CID 90598453) is 4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide is COC(CNC(=O)CCC(F)(F)F)c1ccc(C)s1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide?
The InChIKey is BGFXKXRJQQEGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S/c1-8-3-4-10(19-8)9(18-2)7-16-11(17)5-6-12(13,14)15/h3-4,9H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide?
4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide has a molecular weight of 295.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 90598453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).