2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine

C7H14F3NS — CID 116615349

IUPAC2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCSC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-6(2,3)11-4-5-12-7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyNMTWMHYITDBDAF-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.63
Rot. Bonds3

About 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine

2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine (PubChem CID 116615349) has the molecular formula C7H14F3NS and a molecular weight of 201.26 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
PubChem CID116615349
Molecular FormulaC7H14F3NS
Molecular Weight201.26 g/mol
Exact Mass201.08
IUPAC Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCSC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-6(2,3)11-4-5-12-7(8,9)10/h11H,4-5H2,1-3H3
InChIKeyNMTWMHYITDBDAF-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.63
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 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine (CID 116615349) is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine is CC(C)(C)NCCSC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
The InChIKey is NMTWMHYITDBDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NS/c1-6(2,3)11-4-5-12-7(8,9)10/h11H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine has a molecular weight of 201.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine is sourced from PubChem (CID 116615349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).