N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine

C5H10F3NS — CID 84654634

IUPACN-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine
SMILESCNCCSCC(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-9-2-3-10-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyVQHLFVHVMKFAKI-UHFFFAOYSA-N
MW173.20 g/mol
LogP1.50
Rot. Bonds4

About N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine

N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine (PubChem CID 84654634) has the molecular formula C5H10F3NS and a molecular weight of 173.20 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine
PubChem CID84654634
Molecular FormulaC5H10F3NS
Molecular Weight173.20 g/mol
Exact Mass173.05
IUPAC NameN-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine
SMILESCNCCSCC(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-9-2-3-10-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyVQHLFVHVMKFAKI-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine (CID 84654634) is N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine is CNCCSCC(F)(F)F.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine?
The InChIKey is VQHLFVHVMKFAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NS/c1-9-2-3-10-4-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine?
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine has a molecular weight of 173.20 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethylsulfanyl)ethanamine is sourced from PubChem (CID 84654634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).