3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one

C8H13F3N2O2 — CID 119333364

IUPAC3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)2-4-13(5-7)6(14)1-3-12/h15H,1-5,12H2
InChIKeyBNCKCXOXEJDKJW-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.14
Rot. Bonds2

About 3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one

3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 119333364) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID119333364
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)2-4-13(5-7)6(14)1-3-12/h15H,1-5,12H2
InChIKeyBNCKCXOXEJDKJW-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 119326792
3-(2-aminophenyl)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120611230
3-(2-fluorophenoxy)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 71984038
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119800753
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355732
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide
CID 130524196
2-tert-butylsulfonyl-1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 99698290
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810
1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(3-phenylcyclobutyl)ethanone
CID 124873581
N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 97012914
1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97017421

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one (CID 119333364) is 3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one is NCCC(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is BNCKCXOXEJDKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)2-4-13(5-7)6(14)1-3-12/h15H,1-5,12H2.
What are the key properties of 3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 226.20 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 119333364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).