4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol

C8H15F3N2O — CID 63703949

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
SMILESCCN(CC(F)(F)F)C1CNCC1O
InChIInChI=1S/C8H15F3N2O/c1-2-13(5-8(9,10)11)6-3-12-4-7(6)14/h6-7,12,14H,2-5H2,1H3
InChIKeyXDQAQBDASOYJHO-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.20
Rot. Bonds3

About 4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol

4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol (PubChem CID 63703949) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
PubChem CID63703949
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
SMILESCCN(CC(F)(F)F)C1CNCC1O
InChIInChI=1S/C8H15F3N2O/c1-2-13(5-8(9,10)11)6-3-12-4-7(6)14/h6-7,12,14H,2-5H2,1H3
InChIKeyXDQAQBDASOYJHO-UHFFFAOYSA-N
XLogP0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol (CID 63703949) is 4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol is CCN(CC(F)(F)F)C1CNCC1O.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
The InChIKey is XDQAQBDASOYJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-2-13(5-8(9,10)11)6-3-12-4-7(6)14/h6-7,12,14H,2-5H2,1H3.
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol?
4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol has a molecular weight of 212.21 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 63703949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).