1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol

C8H16F3NO2 — CID 104760283

IUPAC1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol
SMILESCC(C)OCCNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(2)14-4-3-12-5-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyLZRZQOCGDMFKRG-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.92
Rot. Bonds6

About 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol

1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol (PubChem CID 104760283) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol
PubChem CID104760283
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol
SMILESCC(C)OCCNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(2)14-4-3-12-5-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyLZRZQOCGDMFKRG-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
CID 123282561
3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol
CID 106285645
2,3-dimethyl-N-(2-propan-2-yloxyethyl)butan-1-amine
CID 64571150
1,1,1-trifluoro-3-(pentylamino)propan-2-ol
CID 63900220
3-methyl-4-(2-propan-2-yloxyethylamino)butan-1-ol
CID 66109201
1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518334
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 63965623
2-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60702149

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol (CID 104760283) is 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol is CC(C)OCCNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol?
The InChIKey is LZRZQOCGDMFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-6(2)14-4-3-12-5-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol?
1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol has a molecular weight of 215.21 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol is sourced from PubChem (CID 104760283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).