4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide

C11H19F3N2O2 — CID 79192458

IUPAC4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
SMILESO=C(CCCO)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-4-3-9(7-16)6-15-10(18)2-1-5-17/h9,17H,1-8H2,(H,15,18)
InChIKeyNKOAOXXTAOOUNH-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.76
Rot. Bonds6

About 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide

4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide (PubChem CID 79192458) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
PubChem CID79192458
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
SMILESO=C(CCCO)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-4-3-9(7-16)6-15-10(18)2-1-5-17/h9,17H,1-8H2,(H,15,18)
InChIKeyNKOAOXXTAOOUNH-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
The IUPAC name of 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide (CID 79192458) is 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide is O=C(CCCO)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
The InChIKey is NKOAOXXTAOOUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-4-3-9(7-16)6-15-10(18)2-1-5-17/h9,17H,1-8H2,(H,15,18).
What are the key properties of 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide has a molecular weight of 268.28 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide is sourced from PubChem (CID 79192458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).