1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol

C9H19F3N2O — CID 79381866

IUPAC1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)C(CCN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(2,15)6-14(3)7(4-5-13)9(10,11)12/h7,15H,4-6,13H2,1-3H3
InChIKeyKNTBGWJLRRFZKR-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.97
Rot. Bonds5

About 1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol

1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 79381866) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID79381866
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)C(CCN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(2,15)6-14(3)7(4-5-13)9(10,11)12/h7,15H,4-6,13H2,1-3H3
InChIKeyKNTBGWJLRRFZKR-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-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-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol (CID 79381866) is 1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)C(CCN)C(F)(F)F.
What is the InChIKey of 1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is KNTBGWJLRRFZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-8(2,15)6-14(3)7(4-5-13)9(10,11)12/h7,15H,4-6,13H2,1-3H3.
What are the key properties of 1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol?
1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 228.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79381866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).