3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol

C10H20F3NOS — CID 106286211

IUPAC3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCCSC(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-3-8(4-2)9(15)7-14-5-6-16-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyGYHCMYBXCGHWIU-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.63
Rot. Bonds8

About 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol

3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol (PubChem CID 106286211) has the molecular formula C10H20F3NOS and a molecular weight of 259.34 g/mol. Its IUPAC name is 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
PubChem CID106286211
Molecular FormulaC10H20F3NOS
Molecular Weight259.34 g/mol
Exact Mass259.12
IUPAC Name3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCCSC(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-3-8(4-2)9(15)7-14-5-6-16-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyGYHCMYBXCGHWIU-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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Related Compounds

1,1,1-Trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966493
1,1,1-Trifluoro-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol
CID 80721823
3-[(2-Ethyl-2-methylsulfanylbutyl)amino]-1,1,1-trifluoropropan-2-ol
CID 105818156
1,1,1-Trifluoro-3-[(1-methylsulfanylcyclobutyl)methylamino]propan-2-ol
CID 105818978
1,1,1-Trifluoro-3-[(1-methylsulfanylcyclopentyl)methylamino]propan-2-ol
CID 105819793
1,1,1-Trifluoro-3-(6-methylsulfanylhexylamino)propan-2-ol
CID 105895307
1,1,1-Trifluoro-3-(5-methylsulfanylpentylamino)propan-2-ol
CID 105909015
3-[[2-(Trifluoromethylsulfanyl)ethylamino]methyl]hexan-1-ol
CID 106115491
5-[2-(Trifluoromethylsulfanyl)ethylamino]pentan-2-ol
CID 106131797
2-Methyl-5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-1-ol
CID 106160432
2-Ethyl-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]butan-1-ol
CID 106256483
3-Ethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol
CID 106285280

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol (CID 106286211) is 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol is CCC(CC)C(O)CNCCSC(F)(F)F.
What is the InChIKey of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The InChIKey is GYHCMYBXCGHWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NOS/c1-3-8(4-2)9(15)7-14-5-6-16-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-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 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 106286211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).