1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol

C11H23F3N2O — CID 55011610

IUPAC1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCCN(CC(O)CNC(C)C)CC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-5-16(8-11(12,13)14)7-10(17)6-15-9(2)3/h9-10,15,17H,4-8H2,1-3H3
InChIKeyFVYVEPSVKROQOI-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.62
Rot. Bonds8

About 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 55011610) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID55011610
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCCN(CC(O)CNC(C)C)CC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-5-16(8-11(12,13)14)7-10(17)6-15-9(2)3/h9-10,15,17H,4-8H2,1-3H3
InChIKeyFVYVEPSVKROQOI-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 55011610) is 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol is CCCN(CC(O)CNC(C)C)CC(F)(F)F.
What is the InChIKey of 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is FVYVEPSVKROQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-4-5-16(8-11(12,13)14)7-10(17)6-15-9(2)3/h9-10,15,17H,4-8H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 55011610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).