1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine

C11H16F3NOS — CID 103148094

IUPAC1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESNC(CCOCC(F)(F)F)CCc1ccsc1
InChIInChI=1S/C11H16F3NOS/c12-11(13,14)8-16-5-3-10(15)2-1-9-4-6-17-7-9/h4,6-7,10H,1-3,5,8,15H2
InChIKeyVNLRLBMEGUTGIQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.98
Rot. Bonds7

About 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine

1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine (PubChem CID 103148094) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
PubChem CID103148094
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESNC(CCOCC(F)(F)F)CCc1ccsc1
InChIInChI=1S/C11H16F3NOS/c12-11(13,14)8-16-5-3-10(15)2-1-9-4-6-17-7-9/h4,6-7,10H,1-3,5,8,15H2
InChIKeyVNLRLBMEGUTGIQ-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-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 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The IUPAC name of 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine (CID 103148094) is 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine.
What is the SMILES notation for 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The canonical SMILES for 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine is NC(CCOCC(F)(F)F)CCc1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The InChIKey is VNLRLBMEGUTGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c12-11(13,14)8-16-5-3-10(15)2-1-9-4-6-17-7-9/h4,6-7,10H,1-3,5,8,15H2.
What are the key properties of 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine has a molecular weight of 267.32 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine is sourced from PubChem (CID 103148094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).