2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol

C10H20F3NOS — CID 106256483

IUPAC2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCSC(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-3-9(4-2,8-15)7-14-5-6-16-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeySLRQJXFHJVRUOK-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.63
Rot. Bonds8

About 2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol

2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol (PubChem CID 106256483) has the molecular formula C10H20F3NOS and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol
PubChem CID106256483
Molecular FormulaC10H20F3NOS
Molecular Weight259.34 g/mol
Exact Mass259.12
IUPAC Name2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCSC(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-3-9(4-2,8-15)7-14-5-6-16-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeySLRQJXFHJVRUOK-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
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 2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol (CID 106256483) is 2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCCSC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol?
The InChIKey is SLRQJXFHJVRUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NOS/c1-3-9(4-2,8-15)7-14-5-6-16-10(11,12)13/h14-15H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol?
2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol has a molecular weight of 259.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 106256483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).