1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol

C7H15F3N2O — CID 62332670

IUPAC1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)C(CN)C(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-5(13)4-12(2)6(3-11)7(8,9)10/h5-6,13H,3-4,11H2,1-2H3
InChIKeyOSGTWCFCXFBMIX-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.19
Rot. Bonds4

About 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol

1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol (PubChem CID 62332670) has the molecular formula C7H15F3N2O and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol
PubChem CID62332670
Molecular FormulaC7H15F3N2O
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC Name1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)C(CN)C(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-5(13)4-12(2)6(3-11)7(8,9)10/h5-6,13H,3-4,11H2,1-2H3
InChIKeyOSGTWCFCXFBMIX-UHFFFAOYSA-N
XLogP0.19
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]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-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol (CID 62332670) is 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol is CC(O)CN(C)C(CN)C(F)(F)F.
What is the InChIKey of 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol?
The InChIKey is OSGTWCFCXFBMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O/c1-5(13)4-12(2)6(3-11)7(8,9)10/h5-6,13H,3-4,11H2,1-2H3.
What are the key properties of 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol?
1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol has a molecular weight of 200.20 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 62332670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).