[1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine

C10H8F3NO2S — CID 117119357

IUPAC[1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine
SMILESNCC1=CS(=O)(=O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C10H8F3NO2S/c11-10(12,13)7-2-1-3-8-9(7)6(4-14)5-17(8,15)16/h1-3,5H,4,14H2
InChIKeyXZVODSNDBAIQNW-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.79
Rot. Bonds1

About [1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine

[1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine (PubChem CID 117119357) has the molecular formula C10H8F3NO2S and a molecular weight of 263.24 g/mol. Its IUPAC name is [1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine.

Molecular Properties

Compound Name[1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine
PubChem CID117119357
Molecular FormulaC10H8F3NO2S
Molecular Weight263.24 g/mol
Exact Mass263.02
IUPAC Name[1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine
SMILESNCC1=CS(=O)(=O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C10H8F3NO2S/c11-10(12,13)7-2-1-3-8-9(7)6(4-14)5-17(8,15)16/h1-3,5H,4,14H2
InChIKeyXZVODSNDBAIQNW-UHFFFAOYSA-N
XLogP1.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine?
The IUPAC name of [1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine (CID 117119357) is [1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine.
What is the SMILES notation for [1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine?
The canonical SMILES for [1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine is NCC1=CS(=O)(=O)c2cccc(C(F)(F)F)c21.
What is the InChIKey of [1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine?
The InChIKey is XZVODSNDBAIQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2S/c11-10(12,13)7-2-1-3-8-9(7)6(4-14)5-17(8,15)16/h1-3,5H,4,14H2.
What are the key properties of [1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine?
[1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine has a molecular weight of 263.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine is sourced from PubChem (CID 117119357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).