[(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C16H18F3NO2 — CID 86801790

IUPAC[(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCCC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)15(12-6-2-1-3-7-12)9-5-10-20(15)14(21)13-8-4-11-22-13/h1-3,6-7,13H,4-5,8-11H2/t13-,15?/m0/s1
InChIKeyRYIFKXLTTVTGPT-CFMCSPIPSA-N
MW313.32 g/mol
LogP3.25
Rot. Bonds2

About [(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

[(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 86801790) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID86801790
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name[(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCCC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)15(12-6-2-1-3-7-12)9-5-10-20(15)14(21)13-8-4-11-22-13/h1-3,6-7,13H,4-5,8-11H2/t13-,15?/m0/s1
InChIKeyRYIFKXLTTVTGPT-CFMCSPIPSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 86801790) is [(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C([C@@H]1CCCO1)N1CCCC1(c1ccccc1)C(F)(F)F.
What is the InChIKey of [(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RYIFKXLTTVTGPT-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H18F3NO2/c17-16(18,19)15(12-6-2-1-3-7-12)9-5-10-20(15)14(21)13-8-4-11-22-13/h1-3,6-7,13H,4-5,8-11H2/t13-,15?/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 313.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86801790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).