2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C8H13F3N2O2 — CID 56687405

IUPAC2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CC[C@H](O)C1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)4-13-2-1-6(14)3-13/h6,14H,1-5H2,(H,12,15)/t6-/m0/s1
InChIKeyKFCFRWHXMGTFCO-LURJTMIESA-N
MW226.20 g/mol
LogP-0.27
Rot. Bonds3

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56687405) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56687405
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CC[C@H](O)C1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)4-13-2-1-6(14)3-13/h6,14H,1-5H2,(H,12,15)/t6-/m0/s1
InChIKeyKFCFRWHXMGTFCO-LURJTMIESA-N
XLogP-0.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 56687405) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CC[C@H](O)C1)NCC(F)(F)F.
What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KFCFRWHXMGTFCO-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)4-13-2-1-6(14)3-13/h6,14H,1-5H2,(H,12,15)/t6-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 226.20 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56687405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).