2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol

C7H15F3N2O — CID 123609211

IUPAC2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol
SMILESCC(CO)NC(C)(CN)C(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-5(3-13)12-6(2,4-11)7(8,9)10/h5,12-13H,3-4,11H2,1-2H3
InChIKeyDSZVFKDOFHARPR-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.24
Rot. Bonds4

About 2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol

2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol (PubChem CID 123609211) has the molecular formula C7H15F3N2O and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol
PubChem CID123609211
Molecular FormulaC7H15F3N2O
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC Name2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol
SMILESCC(CO)NC(C)(CN)C(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-5(3-13)12-6(2,4-11)7(8,9)10/h5,12-13H,3-4,11H2,1-2H3
InChIKeyDSZVFKDOFHARPR-UHFFFAOYSA-N
XLogP0.24
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol (CID 123609211) is 2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol is CC(CO)NC(C)(CN)C(F)(F)F.
What is the InChIKey of 2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol?
The InChIKey is DSZVFKDOFHARPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O/c1-5(3-13)12-6(2,4-11)7(8,9)10/h5,12-13H,3-4,11H2,1-2H3.
What are the key properties of 2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol?
2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol has a molecular weight of 200.20 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 123609211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).