N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine

C12H10F3NOS — CID 66351678

IUPACN-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
SMILESFC(F)(F)Oc1ccc(CNc2ccsc2)cc1
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)17-11-3-1-9(2-4-11)7-16-10-5-6-18-8-10/h1-6,8,16H,7H2
InChIKeyPUPOYICNJNWJGH-UHFFFAOYSA-N
MW273.28 g/mol
LogP4.26
Rot. Bonds4

About N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine

N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine (PubChem CID 66351678) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
PubChem CID66351678
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC NameN-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
SMILESFC(F)(F)Oc1ccc(CNc2ccsc2)cc1
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)17-11-3-1-9(2-4-11)7-16-10-5-6-18-8-10/h1-6,8,16H,7H2
InChIKeyPUPOYICNJNWJGH-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine?
The IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine (CID 66351678) is N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine.
What is the SMILES notation for N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine?
The canonical SMILES for N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine is FC(F)(F)Oc1ccc(CNc2ccsc2)cc1.
What is the InChIKey of N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine?
The InChIKey is PUPOYICNJNWJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c13-12(14,15)17-11-3-1-9(2-4-11)7-16-10-5-6-18-8-10/h1-6,8,16H,7H2.
What are the key properties of N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine?
N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine has a molecular weight of 273.28 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine is sourced from PubChem (CID 66351678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).