(2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol

C8H12F3N3O — CID 25338331

IUPAC(2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1[C@](O)(CCN)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14-5-4-13-6(14)7(15,2-3-12)8(9,10)11/h4-5,15H,2-3,12H2,1H3/t7-/m1/s1
InChIKeySIEKIPLBGOZGPG-SSDOTTSWSA-N
MW223.20 g/mol
LogP0.52
Rot. Bonds3

About (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol

(2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol (PubChem CID 25338331) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol
PubChem CID25338331
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name(2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1[C@](O)(CCN)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14-5-4-13-6(14)7(15,2-3-12)8(9,10)11/h4-5,15H,2-3,12H2,1H3/t7-/m1/s1
InChIKeySIEKIPLBGOZGPG-SSDOTTSWSA-N
XLogP0.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)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 (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol?
The IUPAC name of (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol (CID 25338331) is (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol.
What is the SMILES notation for (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol?
The canonical SMILES for (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol is Cn1ccnc1[C@](O)(CCN)C(F)(F)F.
What is the InChIKey of (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol?
The InChIKey is SIEKIPLBGOZGPG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-14-5-4-13-6(14)7(15,2-3-12)8(9,10)11/h4-5,15H,2-3,12H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol?
(2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol has a molecular weight of 223.20 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 25338331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).