N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine

C8H10F3NS — CID 121208423

IUPACN-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine
SMILESCNCc1csc(CC(F)(F)F)c1
InChIInChI=1S/C8H10F3NS/c1-12-4-6-2-7(13-5-6)3-8(9,10)11/h2,5,12H,3-4H2,1H3
InChIKeyPAFMECKQWNBYIO-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.57
Rot. Bonds3

About N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine

N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine (PubChem CID 121208423) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine
PubChem CID121208423
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC NameN-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine
SMILESCNCc1csc(CC(F)(F)F)c1
InChIInChI=1S/C8H10F3NS/c1-12-4-6-2-7(13-5-6)3-8(9,10)11/h2,5,12H,3-4H2,1H3
InChIKeyPAFMECKQWNBYIO-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine (CID 121208423) is N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine is CNCc1csc(CC(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine?
The InChIKey is PAFMECKQWNBYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-12-4-6-2-7(13-5-6)3-8(9,10)11/h2,5,12H,3-4H2,1H3.
What are the key properties of N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine?
N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine has a molecular weight of 209.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methanamine is sourced from PubChem (CID 121208423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).