1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol

C11H23F3N2O — CID 79384398

IUPAC1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCC(N)C(N(CC)CC(C)(C)O)C(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-5-8(15)9(11(12,13)14)16(6-2)7-10(3,4)17/h8-9,17H,5-7,15H2,1-4H3
InChIKeyZEUPCSDEJGSSHS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.75
Rot. Bonds6

About 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol

1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 79384398) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID79384398
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCC(N)C(N(CC)CC(C)(C)O)C(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-5-8(15)9(11(12,13)14)16(6-2)7-10(3,4)17/h8-9,17H,5-7,15H2,1-4H3
InChIKeyZEUPCSDEJGSSHS-UHFFFAOYSA-N
XLogP1.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.75
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-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol (CID 79384398) is 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol is CCC(N)C(N(CC)CC(C)(C)O)C(F)(F)F.
What is the InChIKey of 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is ZEUPCSDEJGSSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-5-8(15)9(11(12,13)14)16(6-2)7-10(3,4)17/h8-9,17H,5-7,15H2,1-4H3.
What are the key properties of 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(3-amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 1.75, 6 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-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).