2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone

C6H8F3NO — CID 171796784

IUPAC2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone
SMILESC[C@@H]1CCN1C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-4-2-3-10(4)5(11)6(7,8)9/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyUIAVIDGZSPGJRO-SCSAIBSYSA-N
MW167.13 g/mol
LogP1.17
Rot. Bonds

About 2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone

2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone (PubChem CID 171796784) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone
PubChem CID171796784
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone
SMILESC[C@@H]1CCN1C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-4-2-3-10(4)5(11)6(7,8)9/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyUIAVIDGZSPGJRO-SCSAIBSYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone (CID 171796784) is 2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone is C[C@@H]1CCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone?
The InChIKey is UIAVIDGZSPGJRO-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-4-2-3-10(4)5(11)6(7,8)9/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone?
2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone has a molecular weight of 167.13 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone is sourced from PubChem (CID 171796784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).