(1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one

C16H15F3NO4P — CID 71544634

IUPAC(1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one
SMILESCOP(=O)(OC)[C@H]1C(=O)n2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3NO4P/c1-23-25(22,24-2)14-13(12-4-3-9-20(12)15(14)21)10-5-7-11(8-6-10)16(17,18)19/h3-9,13-14H,1-2H3/t13-,14+/m0/s1
InChIKeyVIXQXJHCQILPOS-UONOGXRCSA-N
MW373.27 g/mol
LogP4.15
Rot. Bonds4

About (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one

(1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one (PubChem CID 71544634) has the molecular formula C16H15F3NO4P and a molecular weight of 373.27 g/mol. Its IUPAC name is (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one
PubChem CID71544634
Molecular FormulaC16H15F3NO4P
Molecular Weight373.27 g/mol
Exact Mass373.07
IUPAC Name(1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one
SMILESCOP(=O)(OC)[C@H]1C(=O)n2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3NO4P/c1-23-25(22,24-2)14-13(12-4-3-9-20(12)15(14)21)10-5-7-11(8-6-10)16(17,18)19/h3-9,13-14H,1-2H3/t13-,14+/m0/s1
InChIKeyVIXQXJHCQILPOS-UONOGXRCSA-N
XLogP4.15
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one?
The IUPAC name of (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one (CID 71544634) is (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one.
What is the SMILES notation for (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one?
The canonical SMILES for (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one is COP(=O)(OC)[C@H]1C(=O)n2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one?
The InChIKey is VIXQXJHCQILPOS-UONOGXRCSA-N. The full InChI is InChI=1S/C16H15F3NO4P/c1-23-25(22,24-2)14-13(12-4-3-9-20(12)15(14)21)10-5-7-11(8-6-10)16(17,18)19/h3-9,13-14H,1-2H3/t13-,14+/m0/s1.
What are the key properties of (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one?
(1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one has a molecular weight of 373.27 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-dimethoxyphosphoryl-1-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolizin-3-one is sourced from PubChem (CID 71544634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).