N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine

C9H12F3NOS — CID 107558001

IUPACN-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine
SMILESCNCc1ccc(COCC(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-13-4-7-2-3-8(15-7)5-14-6-9(10,11)12/h2-3,13H,4-6H2,1H3
InChIKeyDCFHECKCYCAYJN-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.55
Rot. Bonds5

About N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine

N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine (PubChem CID 107558001) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine
PubChem CID107558001
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC NameN-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine
SMILESCNCc1ccc(COCC(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-13-4-7-2-3-8(15-7)5-14-6-9(10,11)12/h2-3,13H,4-6H2,1H3
InChIKeyDCFHECKCYCAYJN-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine (CID 107558001) is N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine is CNCc1ccc(COCC(F)(F)F)s1.
What is the InChIKey of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine?
The InChIKey is DCFHECKCYCAYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-13-4-7-2-3-8(15-7)5-14-6-9(10,11)12/h2-3,13H,4-6H2,1H3.
What are the key properties of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine?
N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine has a molecular weight of 239.26 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107558001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).