1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone

C11H10F3NO — CID 156514517

IUPAC1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H10F3NO/c1-6(16)8-4-9(8)7-2-3-10(15-5-7)11(12,13)14/h2-3,5,8-9H,4H2,1H3/t8-,9+/m0/s1
InChIKeyOBYOCDKBZWRBLX-DTWKUNHWSA-N
MW229.20 g/mol
LogP2.79
Rot. Bonds2

About 1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone

1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone (PubChem CID 156514517) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone
PubChem CID156514517
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H10F3NO/c1-6(16)8-4-9(8)7-2-3-10(15-5-7)11(12,13)14/h2-3,5,8-9H,4H2,1H3/t8-,9+/m0/s1
InChIKeyOBYOCDKBZWRBLX-DTWKUNHWSA-N
XLogP2.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone (CID 156514517) is 1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone is CC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone?
The InChIKey is OBYOCDKBZWRBLX-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-6(16)8-4-9(8)7-2-3-10(15-5-7)11(12,13)14/h2-3,5,8-9H,4H2,1H3/t8-,9+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone?
1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone has a molecular weight of 229.20 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone is sourced from PubChem (CID 156514517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).