[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone

C10H15F3N2O2 — CID 119333374

IUPAC[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)9(17)3-5-15(6-9)8(16)7-2-1-4-14-7/h7,14,17H,1-6H2
InChIKeyIUZFQMBRZIYVDT-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.26
Rot. Bonds1

About [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone

[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119333374) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119333374
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)9(17)3-5-15(6-9)8(16)7-2-1-4-14-7/h7,14,17H,1-6H2
InChIKeyIUZFQMBRZIYVDT-UHFFFAOYSA-N
XLogP0.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119800759
(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 135306349
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 125118534
(2-aminocyclopentyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 119800762
[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 118444545
(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
CID 116991084
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119805330
6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 155905775
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone (CID 119333374) is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone is O=C(C1CCCN1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is IUZFQMBRZIYVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)9(17)3-5-15(6-9)8(16)7-2-1-4-14-7/h7,14,17H,1-6H2.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 252.24 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119333374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).