N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine

C13H11F4NS — CID 78921732

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine
SMILESFc1ccc(CNCc2ccsc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4NS/c14-11-2-1-10(12(5-11)13(15,16)17)7-18-6-9-3-4-19-8-9/h1-5,8,18H,6-7H2
InChIKeyYIODQBYDMICHNY-UHFFFAOYSA-N
MW289.30 g/mol
LogP4.20
Rot. Bonds4

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine (PubChem CID 78921732) has the molecular formula C13H11F4NS and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine
PubChem CID78921732
Molecular FormulaC13H11F4NS
Molecular Weight289.30 g/mol
Exact Mass289.05
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine
SMILESFc1ccc(CNCc2ccsc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4NS/c14-11-2-1-10(12(5-11)13(15,16)17)7-18-6-9-3-4-19-8-9/h1-5,8,18H,6-7H2
InChIKeyYIODQBYDMICHNY-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 78921086
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
N-[(5-fluoro-2-nitrophenyl)methyl]-1-thiophen-3-ylmethanamine
CID 63248080
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 78921852
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 113465470
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 78921861
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114941536
N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60956605
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
CID 102696977
1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine (CID 78921732) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine is Fc1ccc(CNCc2ccsc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is YIODQBYDMICHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NS/c14-11-2-1-10(12(5-11)13(15,16)17)7-18-6-9-3-4-19-8-9/h1-5,8,18H,6-7H2.
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 289.30 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 78921732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).