1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone

C8H13F3N2O2 — CID 115006788

IUPAC1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESNCC(O)C1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)13-2-1-5(4-13)6(14)3-12/h5-6,14H,1-4,12H2
InChIKeyQKZZHWFNAWFEJJ-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.28
Rot. Bonds2

About 1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone

1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 115006788) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID115006788
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESNCC(O)C1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)13-2-1-5(4-13)6(14)3-12/h5-6,14H,1-4,12H2
InChIKeyQKZZHWFNAWFEJJ-UHFFFAOYSA-N
XLogP-0.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537598
2,2,2-trifluoro-1-[(3S)-3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 95566438
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 103637569
1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
CID 54595642
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 95013458
1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone
CID 115006831
methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881160
1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone
CID 115006765
2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone
CID 167715234
2,2,2-trifluoro-1-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethanone
CID 155894161
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-difluoropropan-1-one
CID 131070818
methyl 3-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006437

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone (CID 115006788) is 1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone is NCC(O)C1CCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is QKZZHWFNAWFEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)13-2-1-5(4-13)6(14)3-12/h5-6,14H,1-4,12H2.
What are the key properties of 1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 226.20 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 115006788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).