2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H14F3NS — CID 43426279

IUPAC2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)C(NCC(F)(F)F)c1cccs1
InChIInChI=1S/C10H14F3NS/c1-7(2)9(8-4-3-5-15-8)14-6-10(11,12)13/h3-5,7,9,14H,6H2,1-2H3
InChIKeyOMIDJADBHRPOKZ-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.60
Rot. Bonds4

About 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 43426279) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID43426279
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC Name2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)C(NCC(F)(F)F)c1cccs1
InChIInChI=1S/C10H14F3NS/c1-7(2)9(8-4-3-5-15-8)14-6-10(11,12)13/h3-5,7,9,14H,6H2,1-2H3
InChIKeyOMIDJADBHRPOKZ-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 43426279) is 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)C(NCC(F)(F)F)c1cccs1.
What is the InChIKey of 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is OMIDJADBHRPOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS/c1-7(2)9(8-4-3-5-15-8)14-6-10(11,12)13/h3-5,7,9,14H,6H2,1-2H3.
What are the key properties of 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 237.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 43426279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).