1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol

C8H16F3NO2 — CID 82794526

IUPAC1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol
SMILESCC(O)(CN)COCCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(13,5-12)6-14-4-2-3-8(9,10)11/h13H,2-6,12H2,1H3
InChIKeyFWQCUVNAJMCBFA-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.06
Rot. Bonds6

About 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol

1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol (PubChem CID 82794526) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol
PubChem CID82794526
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol
SMILESCC(O)(CN)COCCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(13,5-12)6-14-4-2-3-8(9,10)11/h13H,2-6,12H2,1H3
InChIKeyFWQCUVNAJMCBFA-UHFFFAOYSA-N
XLogP1.06
TPSA55.48 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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)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

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol (CID 82794526) is 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol is CC(O)(CN)COCCCC(F)(F)F.
What is the InChIKey of 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol?
The InChIKey is FWQCUVNAJMCBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-7(13,5-12)6-14-4-2-3-8(9,10)11/h13H,2-6,12H2,1H3.
What are the key properties of 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol?
1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol has a molecular weight of 215.21 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol is sourced from PubChem (CID 82794526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).