2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone

C6H8F3NO — CID 18642602

IUPAC2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESO=C([C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h4,10H,1-3H2/t4-/m0/s1
InChIKeyRADLWLGXRWWBBG-BYPYZUCNSA-N
MW167.13 g/mol
LogP0.87
Rot. Bonds1

About 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone

2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone (PubChem CID 18642602) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone
PubChem CID18642602
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESO=C([C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h4,10H,1-3H2/t4-/m0/s1
InChIKeyRADLWLGXRWWBBG-BYPYZUCNSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone (CID 18642602) is 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone is O=C([C@@H]1CCCN1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone?
The InChIKey is RADLWLGXRWWBBG-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h4,10H,1-3H2/t4-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone?
2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone has a molecular weight of 167.13 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 18642602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).