[2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine

C8H14F3NS — CID 116628130

IUPAC[2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
SMILESNCC1CCC1CCSC(F)(F)F
InChIInChI=1S/C8H14F3NS/c9-8(10,11)13-4-3-6-1-2-7(6)5-12/h6-7H,1-5,12H2
InChIKeyYZLIDORPLKDUPL-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.61
Rot. Bonds4

About [2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine

[2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine (PubChem CID 116628130) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is [2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
PubChem CID116628130
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name[2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
SMILESNCC1CCC1CCSC(F)(F)F
InChIInChI=1S/C8H14F3NS/c9-8(10,11)13-4-3-6-1-2-7(6)5-12/h6-7H,1-5,12H2
InChIKeyYZLIDORPLKDUPL-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine 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-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
The IUPAC name of [2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine (CID 116628130) is [2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for [2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
The canonical SMILES for [2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine is NCC1CCC1CCSC(F)(F)F.
What is the InChIKey of [2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
The InChIKey is YZLIDORPLKDUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c9-8(10,11)13-4-3-6-1-2-7(6)5-12/h6-7H,1-5,12H2.
What are the key properties of [2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
[2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine has a molecular weight of 213.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 116628130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).