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

C10H21F3N2O — CID 79384272

IUPAC1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCCC(N)C(N(C)CC(C)(C)O)C(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-5-7(14)8(10(11,12)13)15(4)6-9(2,3)16/h7-8,16H,5-6,14H2,1-4H3
InChIKeyAXFDQULHQWSQGJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.36
Rot. Bonds5

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

1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 79384272) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID79384272
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCCC(N)C(N(C)CC(C)(C)O)C(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-5-7(14)8(10(11,12)13)15(4)6-9(2,3)16/h7-8,16H,5-6,14H2,1-4H3
InChIKeyAXFDQULHQWSQGJ-UHFFFAOYSA-N
XLogP1.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.36
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)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol (CID 79384272) is 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol is CCC(N)C(N(C)CC(C)(C)O)C(F)(F)F.
What is the InChIKey of 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is AXFDQULHQWSQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-5-7(14)8(10(11,12)13)15(4)6-9(2,3)16/h7-8,16H,5-6,14H2,1-4H3.
What are the key properties of 1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol?
1-[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 242.28 g/mol, XLogP of 1.36, 5 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)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).