(1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one

C22H23F2NO3 — CID 71505448

IUPAC(1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@H]1CN2C(=O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2C1(F)F
InChIInChI=1S/C22H23F2NO3/c1-15-12-25-20(22(15,23)24)18(27-13-16-8-4-2-5-9-16)19(21(25)26)28-14-17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3/t15-,18-,19-,20-/m1/s1
InChIKeyNLMMMEYUXBLXOD-HUYLIWGRSA-N
MW387.43 g/mol
LogP3.65
Rot. Bonds6

About (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one

(1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 71505448) has the molecular formula C22H23F2NO3 and a molecular weight of 387.43 g/mol. Its IUPAC name is (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID71505448
Molecular FormulaC22H23F2NO3
Molecular Weight387.43 g/mol
Exact Mass387.16
IUPAC Name(1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@H]1CN2C(=O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2C1(F)F
InChIInChI=1S/C22H23F2NO3/c1-15-12-25-20(22(15,23)24)18(27-13-16-8-4-2-5-9-16)19(21(25)26)28-14-17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3/t15-,18-,19-,20-/m1/s1
InChIKeyNLMMMEYUXBLXOD-HUYLIWGRSA-N
XLogP3.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-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

Related Compounds

(6R,7S,7aS)-6-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-7-(4-fluorophenyl)hexahydro-3H-pyrrolizin-3-one
CID 16663280
(6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(4-fluorophenyl)-2-hydroxytetrahydro-1H-pyrrolizin-3(2H)-one
CID 24752434
(6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(4-fluorophenyl)-2-hydroxy-2-methyltetrahydro-1H-pyrrolizin-3(2H)-one
CID 46881682
(6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(4-fluorophenyl)-1-hydroxytetrahydro-1H-pyrrolizin-3(2H)-one
CID 46881729
(6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(4-fluorophenyl)-1-hydroxy-1-methyltetrahydro-1H-pyrrolizin-3(2H)-one
CID 46881779
5-Methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 13592840
Cycloclausenamide
CID 13592842
(1R,3R,4R,7R)-5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 163016147
(1R,2R,6R,8R)-7,7-difluoro-8-hydroxy-6-methyl-1,2-bis(phenylmethoxy)-1,2,5,6-tetrahydropyrrolizin-3-one
CID 71505798
(1R,2R,7R,8aR)-8,8-difluoro-8a-hydroxy-7-methyl-1,2-bis(phenylmethoxy)-2,5,6,7-tetrahydro-1H-indolizin-3-one
CID 71505941
(1R,2R,7S,8aR)-8,8-difluoro-8a-hydroxy-7-methyl-1,2-bis(phenylmethoxy)-2,5,6,7-tetrahydro-1H-indolizin-3-one
CID 71505942
(1R,2R,6S,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2-bis(phenylmethoxy)-1,2,5,6-tetrahydropyrrolizin-3-one
CID 71505944

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (CID 71505448) is (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is C[C@@H]1CN2C(=O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2C1(F)F.
What is the InChIKey of (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is NLMMMEYUXBLXOD-HUYLIWGRSA-N. The full InChI is InChI=1S/C22H23F2NO3/c1-15-12-25-20(22(15,23)24)18(27-13-16-8-4-2-5-9-16)19(21(25)26)28-14-17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3/t15-,18-,19-,20-/m1/s1.
What are the key properties of (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
(1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 387.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8R)-7,7-difluoro-6-methyl-1,2-bis(phenylmethoxy)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 71505448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).