[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium

C24H22F3NOP+ — CID 87795390

IUPAC[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
SMILESO=C1[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1CC(F)(F)F
InChIInChI=1S/C24H22F3NOP/c25-24(26,27)18-28-17-16-22(23(28)29)30(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2/q+1/t22-/m1/s1
InChIKeyOSPTZGRNOAMTSS-JOCHJYFZSA-N
MW428.41 g/mol
LogP4.14
Rot. Bonds5

About [(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium

[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium (PubChem CID 87795390) has the molecular formula C24H22F3NOP+ and a molecular weight of 428.41 g/mol. Its IUPAC name is [(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
PubChem CID87795390
Molecular FormulaC24H22F3NOP+
Molecular Weight428.41 g/mol
Exact Mass428.14
IUPAC Name[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
SMILESO=C1[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1CC(F)(F)F
InChIInChI=1S/C24H22F3NOP/c25-24(26,27)18-28-17-16-22(23(28)29)30(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2/q+1/t22-/m1/s1
InChIKeyOSPTZGRNOAMTSS-JOCHJYFZSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium?
The IUPAC name of [(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium (CID 87795390) is [(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium.
What is the SMILES notation for [(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium?
The canonical SMILES for [(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium is O=C1[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1CC(F)(F)F.
What is the InChIKey of [(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium?
The InChIKey is OSPTZGRNOAMTSS-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22F3NOP/c25-24(26,27)18-28-17-16-22(23(28)29)30(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2/q+1/t22-/m1/s1.
What are the key properties of [(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium?
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium has a molecular weight of 428.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium is sourced from PubChem (CID 87795390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).