[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine

C8H14F3NS — CID 116617783

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
SMILESNCC1(CCSC(F)(F)F)CCC1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)13-5-4-7(6-12)2-1-3-7/h1-6,12H2
InChIKeyNFFXVWHECLQSNK-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.76
Rot. Bonds4

About [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine

[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine (PubChem CID 116617783) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
PubChem CID116617783
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
SMILESNCC1(CCSC(F)(F)F)CCC1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)13-5-4-7(6-12)2-1-3-7/h1-6,12H2
InChIKeyNFFXVWHECLQSNK-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[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

Related Compounds

2-[3-(Difluoromethyl)thian-3-yl]ethanamine
CID 115020350
2,2-Difluoro-2-(3-methylthian-3-yl)ethanamine
CID 115020352
[3,3-Difluoro-1-(thian-4-yl)cyclobutyl]methanamine
CID 115032891
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116617690
2-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 116617691
2-Ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617693
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
CID 116617784
[2-[2-(Trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
CID 116628130
[3,3-Difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanamine
CID 165676770
1-{1-[(Ethylsulfanyl)methyl]-3,3-difluorocyclobutyl}methanamine
CID 165840020
1-[3,3-Difluoro-1-(thiolan-3-yl)cyclobutyl]methanamine
CID 165840568
{3,3-Difluoro-1-[2-(methylsulfanyl)ethyl]cyclobutyl}methanamine
CID 165842098

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine (CID 116617783) is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine is NCC1(CCSC(F)(F)F)CCC1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
The InChIKey is NFFXVWHECLQSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c9-8(10,11)13-5-4-7(6-12)2-1-3-7/h1-6,12H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine has a molecular weight of 213.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 116617783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).