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

C10H20F3NO2 — CID 106256468

IUPAC2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCOC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-3-9(4-2,8-15)7-14-5-6-16-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyTYQYWIQKBPMBDX-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.91
Rot. Bonds8

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

2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol (PubChem CID 106256468) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol
PubChem CID106256468
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCOC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-3-9(4-2,8-15)7-14-5-6-16-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyTYQYWIQKBPMBDX-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.91
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

2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55111205
2-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
CID 62517448
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]butan-1-ol
CID 62517611
2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724860
3-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]pentan-3-ol
CID 65111442
3-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]pentan-3-ol
CID 65111828
2-Methyl-2-[2-(trifluoromethoxy)ethylamino]butan-1-ol
CID 65803861
3-[[2-(Trifluoromethoxy)ethylamino]methyl]pentan-3-ol
CID 65805192
2-Ethyl-2-[2-(trifluoromethoxy)ethylamino]butan-1-ol
CID 65805402
6,6,6-Trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol
CID 66003084
3-Methyl-4-[2-(trifluoromethoxy)ethylamino]butan-1-ol
CID 66092321
3-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
CID 66107038

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol (CID 106256468) is 2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCCOC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol?
The InChIKey is TYQYWIQKBPMBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/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-(trifluoromethoxy)ethylamino]methyl]butan-1-ol?
2-ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol has a molecular weight of 243.27 g/mol, XLogP of 1.91, 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-(trifluoromethoxy)ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 106256468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).