2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol

C7H14F3NO2 — CID 114493476

IUPAC2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol
SMILESCCC(C)(O)CNOCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-3-6(2,12)4-11-13-5-7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyFHIIQLQCBPGACH-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.23
Rot. Bonds5

About 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol

2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol (PubChem CID 114493476) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol
PubChem CID114493476
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC Name2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol
SMILESCCC(C)(O)CNOCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-3-6(2,12)4-11-13-5-7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyFHIIQLQCBPGACH-UHFFFAOYSA-N
XLogP1.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol (CID 114493476) is 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol is CCC(C)(O)CNOCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol?
The InChIKey is FHIIQLQCBPGACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c1-3-6(2,12)4-11-13-5-7(8,9)10/h11-12H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol?
2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol has a molecular weight of 201.19 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol is sourced from PubChem (CID 114493476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).