3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine

C13H12F3NS — CID 43753048

IUPAC3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine
SMILESNCC(Sc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C13H12F3NS/c14-13(15,16)12(8-17)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,17H2
InChIKeyMNEXGGZHQUBLID-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.82
Rot. Bonds3

About 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine

3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine (PubChem CID 43753048) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine
PubChem CID43753048
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine
SMILESNCC(Sc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C13H12F3NS/c14-13(15,16)12(8-17)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,17H2
InChIKeyMNEXGGZHQUBLID-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-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 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine (CID 43753048) is 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine is NCC(Sc1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine?
The InChIKey is MNEXGGZHQUBLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c14-13(15,16)12(8-17)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,17H2.
What are the key properties of 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine?
3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine has a molecular weight of 271.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 43753048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).