[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine

C13H16F3NS — CID 83173473

IUPAC[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine
SMILESNCC1(Cc2cccc(C(F)(F)F)c2)CCCS1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)11-4-1-3-10(7-11)8-12(9-17)5-2-6-18-12/h1,3-4,7H,2,5-6,8-9,17H2
InChIKeyHSXMDYVMLFMXMT-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.47
Rot. Bonds3

About [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine

[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine (PubChem CID 83173473) has the molecular formula C13H16F3NS and a molecular weight of 275.34 g/mol. Its IUPAC name is [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine
PubChem CID83173473
Molecular FormulaC13H16F3NS
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine
SMILESNCC1(Cc2cccc(C(F)(F)F)c2)CCCS1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)11-4-1-3-10(7-11)8-12(9-17)5-2-6-18-12/h1,3-4,7H,2,5-6,8-9,17H2
InChIKeyHSXMDYVMLFMXMT-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]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

1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
2-[[3-(trifluoromethyl)phenyl]methyl]thiolane-2-carboxylic acid
CID 83173223
[1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105293256
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116600888
[3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65407301
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
1-(aminomethyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62007283
2-chloro-3-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thietane
CID 123451519

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine?
The IUPAC name of [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine (CID 83173473) is [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine.
What is the SMILES notation for [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine?
The canonical SMILES for [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine is NCC1(Cc2cccc(C(F)(F)F)c2)CCCS1.
What is the InChIKey of [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine?
The InChIKey is HSXMDYVMLFMXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NS/c14-13(15,16)11-4-1-3-10(7-11)8-12(9-17)5-2-6-18-12/h1,3-4,7H,2,5-6,8-9,17H2.
What are the key properties of [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine?
[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine has a molecular weight of 275.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine is sourced from PubChem (CID 83173473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).