5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide

C12H21F3N2O2 — CID 79199465

IUPAC5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
SMILESO=C(CCCCO)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-17-5-4-10(8-17)7-16-11(19)3-1-2-6-18/h10,18H,1-9H2,(H,16,19)
InChIKeyZGDAUPZQVCUIJI-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds7

About 5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide

5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide (PubChem CID 79199465) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
PubChem CID79199465
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
SMILESO=C(CCCCO)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-17-5-4-10(8-17)7-16-11(19)3-1-2-6-18/h10,18H,1-9H2,(H,16,19)
InChIKeyZGDAUPZQVCUIJI-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Oxo-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pentanoic acid
CID 60856468
3-Methyl-5-oxo-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pentanoic acid
CID 62965559
4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 79192458
4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 79192608
N-(5-hydroxy-4-methylpentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103861884
N-(6-hydroxyhexyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103919535
N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106148229
N-(5-hydroxy-4-methylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106161314
N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 107199306
N-(5-hydroxypentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 107317663
N-(5-hydroxypentyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 107319016
1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111489348

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide (CID 79199465) is 5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide is O=C(CCCCO)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide?
The InChIKey is ZGDAUPZQVCUIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)9-17-5-4-10(8-17)7-16-11(19)3-1-2-6-18/h10,18H,1-9H2,(H,16,19).
What are the key properties of 5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide?
5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide has a molecular weight of 282.31 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide is sourced from PubChem (CID 79199465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).