2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine

C8H16F3NS — CID 62577359

IUPAC2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
SMILESCC(C)CSCCNCC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-7(2)5-13-4-3-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyIWDCJPQCHCTHCK-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.53
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine (PubChem CID 62577359) has the molecular formula C8H16F3NS and a molecular weight of 215.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
PubChem CID62577359
Molecular FormulaC8H16F3NS
Molecular Weight215.28 g/mol
Exact Mass215.10
IUPAC Name2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
SMILESCC(C)CSCCNCC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-7(2)5-13-4-3-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyIWDCJPQCHCTHCK-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.53
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 2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine (CID 62577359) is 2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine is CC(C)CSCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
The InChIKey is IWDCJPQCHCTHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NS/c1-7(2)5-13-4-3-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine has a molecular weight of 215.28 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 62577359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).