1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol

C11H21F3N2O2 — CID 106617611

IUPAC1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
SMILESCOCCN(CC1CCCN1)CC(O)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-18-6-5-16(7-9-3-2-4-15-9)8-10(17)11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyJFDQWMKHBNCOJB-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.61
Rot. Bonds7

About 1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol

1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol (PubChem CID 106617611) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
PubChem CID106617611
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
SMILESCOCCN(CC1CCCN1)CC(O)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-18-6-5-16(7-9-3-2-4-15-9)8-10(17)11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyJFDQWMKHBNCOJB-UHFFFAOYSA-N
XLogP0.61
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol (CID 106617611) is 1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol is COCCN(CC1CCCN1)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The InChIKey is JFDQWMKHBNCOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-18-6-5-16(7-9-3-2-4-15-9)8-10(17)11(12,13)14/h9-10,15,17H,2-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol has a molecular weight of 270.29 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 106617611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).