2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol

C12H16F3NO — CID 68863502

IUPAC2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol
SMILESCCC(O)C(N)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-2-10(17)11(16,12(13,14)15)8-9-6-4-3-5-7-9/h3-7,10,17H,2,8,16H2,1H3
InChIKeyIRGMFNQHZJBWAA-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.26
Rot. Bonds4

About 2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol

2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol (PubChem CID 68863502) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol.

Molecular Properties

Compound Name2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol
PubChem CID68863502
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol
SMILESCCC(O)C(N)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-2-10(17)11(16,12(13,14)15)8-9-6-4-3-5-7-9/h3-7,10,17H,2,8,16H2,1H3
InChIKeyIRGMFNQHZJBWAA-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-benzyl-1,1,1-trifluoropentan-3-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-amino-2-benzyl-1,1,1-trifluoropentan-3-ol?
The IUPAC name of 2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol (CID 68863502) is 2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol.
What is the SMILES notation for 2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol?
The canonical SMILES for 2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol is CCC(O)C(N)(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol?
The InChIKey is IRGMFNQHZJBWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-10(17)11(16,12(13,14)15)8-9-6-4-3-5-7-9/h3-7,10,17H,2,8,16H2,1H3.
What are the key properties of 2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol?
2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol has a molecular weight of 247.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-benzyl-1,1,1-trifluoropentan-3-ol is sourced from PubChem (CID 68863502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).