2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide

C7H11F3N2O2 — CID 154652614

IUPAC2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide
SMILESO=C(NCCC1(O)CNC1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5(13)12-2-1-6(14)3-11-4-6/h11,14H,1-4H2,(H,12,13)
InChIKeyDVXZFAQYZFKWIB-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.61
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide (PubChem CID 154652614) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide
PubChem CID154652614
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide
SMILESO=C(NCCC1(O)CNC1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5(13)12-2-1-6(14)3-11-4-6/h11,14H,1-4H2,(H,12,13)
InChIKeyDVXZFAQYZFKWIB-UHFFFAOYSA-N
XLogP-0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide (CID 154652614) is 2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide is O=C(NCCC1(O)CNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide?
The InChIKey is DVXZFAQYZFKWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)5(13)12-2-1-6(14)3-11-4-6/h11,14H,1-4H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide has a molecular weight of 212.17 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-hydroxyazetidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 154652614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).