N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide

C9H10F3NOS — CID 65245185

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(CNC(=O)C(F)(F)F)sc1C
InChIInChI=1S/C9H10F3NOS/c1-5-3-7(15-6(5)2)4-13-8(14)9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyXSTIYFCZODYEKZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.54
Rot. Bonds2

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 65245185) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID65245185
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(CNC(=O)C(F)(F)F)sc1C
InChIInChI=1S/C9H10F3NOS/c1-5-3-7(15-6(5)2)4-13-8(14)9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyXSTIYFCZODYEKZ-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide (CID 65245185) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide is Cc1cc(CNC(=O)C(F)(F)F)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is XSTIYFCZODYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-5-3-7(15-6(5)2)4-13-8(14)9(10,11)12/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 237.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 65245185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).