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

C8H16F3NOS — CID 116616564

IUPACN-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCSC(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-7(2)12-3-4-13-5-6-14-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyLFKGZLHJZAADPL-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.25
Rot. Bonds7

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

N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine (PubChem CID 116616564) has the molecular formula C8H16F3NOS and a molecular weight of 231.28 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine
PubChem CID116616564
Molecular FormulaC8H16F3NOS
Molecular Weight231.28 g/mol
Exact Mass231.09
IUPAC NameN-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCSC(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-7(2)12-3-4-13-5-6-14-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyLFKGZLHJZAADPL-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine (CID 116616564) is N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCSC(F)(F)F.
What is the InChIKey of N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine?
The InChIKey is LFKGZLHJZAADPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NOS/c1-7(2)12-3-4-13-5-6-14-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine has a molecular weight of 231.28 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 116616564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).