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

C9H17F3N2O — CID 66054780

IUPAC5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
SMILESCCN(CC1CC(O)CN1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-2-14(6-9(10,11)12)5-7-3-8(15)4-13-7/h7-8,13,15H,2-6H2,1H3
InChIKeyGTNJVJSUZFDBKI-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.59
Rot. Bonds4

About 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 66054780) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
PubChem CID66054780
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
SMILESCCN(CC1CC(O)CN1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-2-14(6-9(10,11)12)5-7-3-8(15)4-13-7/h7-8,13,15H,2-6H2,1H3
InChIKeyGTNJVJSUZFDBKI-UHFFFAOYSA-N
XLogP0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol (CID 66054780) is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol is CCN(CC1CC(O)CN1)CC(F)(F)F.
What is the InChIKey of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is GTNJVJSUZFDBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-2-14(6-9(10,11)12)5-7-3-8(15)4-13-7/h7-8,13,15H,2-6H2,1H3.
What are the key properties of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol?
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 226.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66054780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).