N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine

C9H16F3NS — CID 63115831

IUPACN-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCSC1CCCC1
InChIInChI=1S/C9H16F3NS/c10-9(11,12)7-13-5-6-14-8-3-1-2-4-8/h8,13H,1-7H2
InChIKeyXYNITBXNEYWKAT-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.81
Rot. Bonds5

About N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine

N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine (PubChem CID 63115831) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine
PubChem CID63115831
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCSC1CCCC1
InChIInChI=1S/C9H16F3NS/c10-9(11,12)7-13-5-6-14-8-3-1-2-4-8/h8,13H,1-7H2
InChIKeyXYNITBXNEYWKAT-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine 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 N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine (CID 63115831) is N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNCCSC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine?
The InChIKey is XYNITBXNEYWKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c10-9(11,12)7-13-5-6-14-8-3-1-2-4-8/h8,13H,1-7H2.
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine?
N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine has a molecular weight of 227.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 63115831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).