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

C12H10F3NS — CID 62813910

IUPACN-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine
SMILESCNCc1ccc(-c2cc(F)cc(F)c2F)s1
InChIInChI=1S/C12H10F3NS/c1-16-6-8-2-3-11(17-8)9-4-7(13)5-10(14)12(9)15/h2-5,16H,6H2,1H3
InChIKeyDDZYHBWAFBYMKB-UHFFFAOYSA-N
MW257.28 g/mol
LogP3.55
Rot. Bonds3

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

N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine (PubChem CID 62813910) has the molecular formula C12H10F3NS and a molecular weight of 257.28 g/mol. Its IUPAC name is N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine
PubChem CID62813910
Molecular FormulaC12H10F3NS
Molecular Weight257.28 g/mol
Exact Mass257.05
IUPAC NameN-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine
SMILESCNCc1ccc(-c2cc(F)cc(F)c2F)s1
InChIInChI=1S/C12H10F3NS/c1-16-6-8-2-3-11(17-8)9-4-7(13)5-10(14)12(9)15/h2-5,16H,6H2,1H3
InChIKeyDDZYHBWAFBYMKB-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine (CID 62813910) is N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine is CNCc1ccc(-c2cc(F)cc(F)c2F)s1.
What is the InChIKey of N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine?
The InChIKey is DDZYHBWAFBYMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NS/c1-16-6-8-2-3-11(17-8)9-4-7(13)5-10(14)12(9)15/h2-5,16H,6H2,1H3.
What are the key properties of N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine?
N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine has a molecular weight of 257.28 g/mol, XLogP of 3.55, 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-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 62813910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).