3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol

C8H15F3N2O — CID 83916918

IUPAC3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
SMILESNCCC1(O)CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)6-13-4-2-7(14,5-13)1-3-12/h14H,1-6,12H2
InChIKeyXIHTWXKILPQUPB-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.33
Rot. Bonds3

About 3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol

3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (PubChem CID 83916918) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
PubChem CID83916918
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
SMILESNCCC1(O)CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)6-13-4-2-7(14,5-13)1-3-12/h14H,1-6,12H2
InChIKeyXIHTWXKILPQUPB-UHFFFAOYSA-N
XLogP0.33
TPSA49.49 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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)pyrrolidin-3-ol
CID 50990624
(3S)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 52420888
(3R)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 52420890
(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 59273044
3-(Difluoromethyl)pyrrolidin-3-ol
CID 71756932
4-[(3,3-Difluoropyrrolidin-1-yl)methyl]piperidin-4-ol
CID 118958665
Azane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 121304840
3-(1,1,2,2,2-Pentafluoroethyl)pyrrolidin-3-ol
CID 155160639
3-(3,3,3-Trifluoropropyl)pyrrolidin-3-ol
CID 64566987
2-Methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 72267228
3-(Aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 83915933
(3S)-3-(difluoromethyl)pyrrolidin-3-ol
CID 96581905

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (CID 83916918) is 3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol is NCCC1(O)CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The InChIKey is XIHTWXKILPQUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)6-13-4-2-7(14,5-13)1-3-12/h14H,1-6,12H2.
What are the key properties of 3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol has a molecular weight of 212.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 83916918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).