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

C8H17F3N2O — CID 79385059

IUPAC1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)C(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-7(2,14)5-13(3)6(4-12)8(9,10)11/h6,14H,4-5,12H2,1-3H3
InChIKeyUNGVAOXJMWTVTH-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.58
Rot. Bonds4

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

1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 79385059) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID79385059
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)C(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-7(2,14)5-13(3)6(4-12)8(9,10)11/h6,14H,4-5,12H2,1-3H3
InChIKeyUNGVAOXJMWTVTH-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol (CID 79385059) is 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)C(CN)C(F)(F)F.
What is the InChIKey of 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is UNGVAOXJMWTVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-7(2,14)5-13(3)6(4-12)8(9,10)11/h6,14H,4-5,12H2,1-3H3.
What are the key properties of 1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol?
1-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 0.58, 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]-2-methylpropan-2-ol is sourced from PubChem (CID 79385059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).