2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O2 — CID 110019853

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(O)C1CCN(C(C)C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-7(10(18)15-6-11(12,13)14)16-4-3-9(5-16)8(2)17/h7-9,17H,3-6H2,1-2H3,(H,15,18)
InChIKeyBHXHYEQFWCRGFB-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.76
Rot. Bonds4

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 110019853) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID110019853
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(O)C1CCN(C(C)C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-7(10(18)15-6-11(12,13)14)16-4-3-9(5-16)8(2)17/h7-9,17H,3-6H2,1-2H3,(H,15,18)
InChIKeyBHXHYEQFWCRGFB-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 110019853) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is CC(O)C1CCN(C(C)C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is BHXHYEQFWCRGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-7(10(18)15-6-11(12,13)14)16-4-3-9(5-16)8(2)17/h7-9,17H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 268.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 110019853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).